Biologic and Spectroscopic Study on 4-Nitrobenzaldehyde Sulfisoxazole

Biologic and Spectroscopic Study on 4-Nitrobenzaldehyde Sulfisoxazole

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New Schiff base (Z)-N-(5-methylisoxazol-3-yl)-4-((4-nitrobenzylidene)amino)benzenesulfonamide (L= 4-nitrobenzaldehyde Sulfisoxazole) derived from sulfamethoxazole (S1) and substituted salicylaldehyde was synthesized. The synthesized compound were characterized by FT-IR, 1H-13C NMR, LC-MS. 1H and 13C shielding tensors for L were calculated with GIAO/DFT/B3LYP/6-311++G(d,p) methods in CDCl3. The vibrational band assignments, frontier molecular orbital energies (FMOs), nonlinear optical (NLO) activity, reactivity descriptors and molecular electrostatic potential surfaces (MEPs), and Mulliken atom...