Synthesis and DFT computations on structural, electronic and vibrational spectra, RDG analysis and molecular docking of novel Anti COVID-19 molecule 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate

Prospective Anti-viral compound 3, 5 Dimethyl Pyrazolium 3, 5 Dichloro Salicylate (DPDS) was synthesized and characterized using FT-IR, FT-Raman, UV and NMR spectra. To escort the experimental results, computational methods were performed using B3LYP with 6-311G (d, p) basis set expending Gaussian09...

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Detalles Bibliográficos
Autores principales: Dexlin, X.D. Divya, Tarika, J.D. Deephlin, Kumar, S. Madhan, Mariappan, A., Beaula, T. Joselin
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9749904/
https://www.ncbi.nlm.nih.gov/pubmed/36532120
http://dx.doi.org/10.1016/j.molstruc.2021.131165

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9749904/
https://www.ncbi.nlm.nih.gov/pubmed/36532120
http://dx.doi.org/10.1016/j.molstruc.2021.131165

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