Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4,6-dichloro-2-(propylthio) pyrimidine - anticancer agent

Electron acceptor, excitation energies, oscillatory strength, spectroscopic and solvent effects on 5-amino-4,6-dichloro-2-(propylthio) pyrimidine - anticancer agent

The characteristics of Five-amino-4,6-dichloro-2-(propylthio) pyrimidine (5ADCPP) are studied using theoretical vibrational spectroscopic techniques including spectroscopy in the FT-IR, FT-Raman, and UV–Visible ranges. Raman scattering, infrared penetration intensities, vibrational modes, and the op...

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Bibliographic Details
Main Authors: M. Sumithra, N. Sundaraganesan, R. Rajesh, V. Vetrivelan, V. Ilangovan, Saleem Javed, S. Muthu
Format: Article
Language:English
Published: Elsevier 2023-06-01
Series:Chemical Physics Impact
Subjects:
DFT
NBO
NLO
MEP
Molecular docking
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022422000834

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http://www.sciencedirect.com/science/article/pii/S2667022422000834

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