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Speculative analysis on the electronic structure, IR assignments and molecular docking of N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide, an anti-amoebic agent
An exhaustive quantum mechanical calculations on a pharmaceutically critical molecule N-{4-[(4-amino-3-phenyl-1H-pyrazolo[3,4-d]pyrimidin-1-yl)sulfonyl]phenyl}acetamide have been investigated through the B3LYP/6-31G∗∗ Density Functional and HF/6-31G∗∗ Wave Function techniques. Physicochemical parame...
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| Published in: | Heliyon |
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| Main Authors: | , |
| Format: | Artigo |
| Language: | Inglês |
| Published: |
Elsevier
2020
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| Subjects: | |
| Online Access: | https://ncbi.nlm.nih.gov/pmc/articles/PMC7327741/ https://ncbi.nlm.nih.gov/pubmed/32637677 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.heliyon.2020.e04176 |
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