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Spectroscopic Characterization and Investigation of Reactive Properties of 6-Chloro-n-(3-iodo-4-methylphenyl)-pyrazine-2-carboxamide by DFT Calculations, with Molecular Docking and Molecular Dynamic Study

P. K. Ranjith,C. Yohannan Panicker,B. Sureshkumar,Stevan Armakovic,Sanja J. Armakovic,P. L. Anto

JOURNAL OF MOLECULAR STRUCTURE（2025）

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关键词
Pyrazine,FT-IR,FT-Raman,DFT,ALIE,Molecular docking,Drug-likeness
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