Exploring molecular structure (monomer & dimer), spectroscopic (FT-IR, FT-Raman, UV-Vis, NMR), TG/DTA, antibacterial and molecular docking investigation on 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy] acetic acid by DFT and wavefunction analysis
The present work focused on molecular structure and various spectroscopic studies of 2-[2,3-dichloro-4-(2-methylidenebutanoyl)phenoxy] acetic acid is also called as Ethacrynic acid (EA). The B3LYP/6-311G(d,p) level of theory was adopted to compute the molecular geometry (monomer and dimer) for EA mo...
| Main Authors: | , , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2024-06-01
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| Series: | Chemical Physics Impact |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2667022424000410 |