机译:New Hybrid (E)-4-((pyren-1-ylmethylene)amino)-N-(thiazol-2-yl)benzenesulfonamide as a Potential Drug Candidate: Spectroscopy, TD-DFT, NBO, FMO, and MEP Studies**
Kafkas Univ;
Sivas Cumhuriyet Univ;
Azo compounds; DFT calculations; Molecular Modeling; Pyrene; Sulfathiazole; DENSITY-FUNCTIONAL THEORY; FT-IR; ANTIMICROBIAL ACTIVITY; EXCITATION-ENERGIES; MOLECULAR-STRUCTURE; CRYSTAL-STRUCTURES; BASIS-SET; NMR; RAMAN; SULFONAMIDE;