This paper represents theoretical calculations applied to newly synthetized of N-(3,5-di-tert-butyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide compounds for defining their optimized state, predicting its free energy, and distinguishing molecular orbitals participating in spectrum formation.

N-(3,5-di-tert-butyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide compounds show antioxidant activity and can be optimized for their optimal state through quantum-chemical calculations.

Paper

QUANTUM-CHEMICAL CALCULATION OF THE N-(3,5-NI-TERT-BUTYL-2-HYDROXYPHENYL)-4-METHYLBENZENESULFONAMIDE WITH ANTIOXIDANT ACTIVITY

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