Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
612-822-4611

  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
DFT and Adme Studies on New Sulfonamide Compound

DFT and Adme Studies on New Sulfonamide Compound

Alyar, Hamit
Alyar, Saliha
Almohammed, Mohammed Habeeb Tuaimah

Paperback

Chemistry

ISBN10: 6208118271
ISBN13: 9786208118273
Publisher: LAP Lambert Academic Publishing
Published: Oct 16 2024
Pages: 56
Weight: 0.21
Height: 0.13 Width: 6.00 Depth: 9.00
Language: English
Sulfonamides or sulfa drugs are a group of drugs used to treat bacterial infections. They may be prescribed to treat urinary tract infections, bronchitis, eye infections, bacterial meningitis, pneumonia, ear infections, severe burns, traveler's diarrhea, and other conditions. In this study, stable structure of 4- ((6,7-dihydroxy-2-oxo-2H-chromen-4-yl) methylamino) -N-(3,4-dimethyloxoazol-5-yl) benzenesulfonamide compound was obtained by performing geometry optimization calculation and bond lengths, bond angles and torsion angles were determined. These structural parameters were compared with similar molecules found in the literature. Then, its spectroscopic properties such as FT-IR, 1H-NMR and 13C-NMR were calculated theoretically. The vibrational frequencies of the compound were assigned. The calculated theoretical results were compared with the experimental data. Finally, the electronic energies, dipole moments, highest occupied molecular orbital (HOMO), lowest unoccupied molecular orbital (LUMO) energies, polarizability and hyperpolarizability values of the studied compound were calculated and it was determined whether it exhibits drug properties in ADME work was carried out.

Also from

Alyar, Hamit

View All

Also in

Chemistry

View All