| Formula |
C28H21Cl2NO4S |
| IUPAC Name |
3-[6-[[3-(2,6-dichlorophenyl)-5-isopropyl-isoxazol-4-yl]methoxy]benzothiophen-2-yl]benzoic acid |
| Molecular Mass |
538.442 g·mol−1 |
| Heat of Formation |
-289.3 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.41 ± 1.08 D |
| Volume |
590.67 Å 3 |
| Surface Area |
452.64 Å 2 |
| HOMO Energy |
-8.58 ± 0.55 eV |
| LUMO Energy |
2.21 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
WPHVYHBQJIXGIJ-UHFFFAOYSA-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
|
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