Elaborated molecular structure, molecular docking and vibrational spectroscopic investigation of N-((4-aminophenyl)sulfonyl)benzamide with Density functional theory
Fazilath Basha A, F. Liakath Ali Khan, S. Muthu, M. Raja
Topics & Concepts
ChemistryDensity functional theoryHOMO/LUMOComputational chemistryMoleculeBasis setMolecular orbitalSulfonylNatural bond orbitalBenzamideDocking (animal)Reactivity (psychology)Molecular geometryStereochemistryOrganic chemistryAlkylPathologyMedicineNursingAlternative medicineNonlinear Optical Materials ResearchSynthesis and biological activitySynthesis and Characterization of Heterocyclic Compounds