Title of article :
Structure Exploring, IR and UV Spectroscopic Properties of Pomalidomide as a Second-generation of Immunomodulatory Agent
Author/Authors :
Ghiasi, Reza Department of Chemistry - Faculty of science - East Tehran branch, Islamic Azad University, Qiam Dasht , Rasouli, Rahimeh Department of Medical Nanotechnology - International Campus - Tehran University of Medical Sciences, Tehran , Ebrahimi Shaghaghi, Fatemeh Department of Biology - Scienceand Research Branch, Islamic Azad University, Tehra , Zaarei, Farzaaneh Department of Pharmaceutics - Faculty of Pharmacy -Tehran Universityof Medical Scienses,Tehran
Abstract :
In this article, the optimized geometry, IR and UV spectra, frontier orbital analysis, natural bond orbital (NBO) analyses, and thermodynamic parameters of pomalidomide were investigated. The calculated structural parameters and stretching frequencies values are compared with experimental values of the investigated compound. Also, the relations of the thermodynamic functions vs. temperatures were fitted by quadratic formulas.
Keywords :
Pomalidomide , Dipole moments , Molecular orbital analysis , Hyperpolarizability , Natural bond analysis (NBO)
