| Formula |
C22H13BrClNO5S |
| IUPAC Name |
5-[(2r)-3-benzoyl-2-(4-bromo-2-thienyl)-4-hydroxy-5-oxo-2h-pyrrol-1-yl]-2-chloro-benzoic acid |
| Molecular Mass |
518.764 g·mol−1 |
| Heat of Formation |
-407.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.92 ± 1.08 D |
| Volume |
501.12 Å 3 |
| Surface Area |
413.85 Å 2 |
| HOMO Energy |
-9.31 ± 0.55 eV |
| LUMO Energy |
-1.29 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
CERSDUPIILKAJP-SFHVURJKSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
Cl
H
O
N
S
Br
|
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