| Formula |
C29H26Cl3NO5S |
| IUPAC Name |
3-[rac-(e)-2-[2-chloro-4-[[3-[[(2,6-dichlorophenyl)-hydroxy-λ4-sulfanyl]methyl]-5-isopropyl-isoxazol-4-yl]methoxy]phenyl]vinyl]benzoic acid |
| Molecular Mass |
606.944 g·mol−1 |
| Heat of Formation |
-524.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.60 ± 1.08 D |
| Volume |
650.24 Å 3 |
| Surface Area |
490.58 Å 2 |
| HOMO Energy |
-8.48 ± 0.55 eV |
| LUMO Energy |
2.23 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
MUAOISKUROHRCK-MDZDMXLPSA-N |
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| DOI |
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|
| Elements |
C
Cl
H
O
N
S
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