Cargando…
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...
| Autores principales: | , , , , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Elsevier B.V.
2021
|
| Materias: | |
| 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 |