Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches

Title
Quantum computational, spectroscopic investigations on N-(2-((2-chloro-4,5-dicyanophenyl)amino)ethyl)-4-methylbenzenesulfonamide by DFT/TD-DFT with different solvents, molecular docking and drug-likeness researches
Authors
Keywords
DFT, Hirshfeld surface analysis, Molecular docking, Drug-Likeness, Phthalonitrile, Sulfonamide
Publisher
Elsevier BV
Online
2022-01-14
DOI
10.1016/j.colsurfa.2022.128311

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