Characteristics, Energetics and Potential Energy Surface of Sulfanilamide

Abstract

Sulfanilamide is widely used for antimicrobial, chemotherapeutics, diuretics, or antidiabetics. However, there is a limited parameter that can explain the electronic molecular properties of sulfanilamide. This research was conducted using computing media to calculate their properties using the DFT method with the theory of B3LYP 6-31G and M062X combined with several set basis. The results showed that the chemical properties of Sulfanilamide can be calculated by computational. The amount of internal energy at 0K was whereas the internal energy at a temperature of 298.15K is. The sulfanilamide degradation reaction proceeded spontaneously with a reaction G° of -6.5688kJ/mol.