TITLE:
Dipole Moments of the Bioactive Constituents Present in Flutab Drug by Ab-Initio Calculations
AUTHORS:
Raghad Alajlani, Amal Alssadi
KEYWORDS:
Flutab®, DFT Calculations, HF Calculations, Dipole Moment
JOURNAL NAME:
Open Journal of Physical Chemistry,
Vol.9 No.4,
November
8,
2019
ABSTRACT: Many of the technology and computational chemistry applications are used to study drugs and their biological effects. Flutab® drug contains Paracetamol, Diphenhydramine and Pseudoephedrine. Ab-initio calculations were performed at DFT/B3LYP and HF methods with three basis sets, namely, STO-3G, 3-21G, and 6-31G(d) in order to calculate the dipole moments of the three constituents of Flutab® drug. The Diphenhydramine compound was found to be the most stable constituent, with the lowest value of dipole moment.