Formula |
C21H19Cl3N2O4S |
IUPAC Name |
(2-chloro-4-methylsulfonyl-phenyl)-[3-(2,4-dichlorophenyl)-1-(1,1-dimethylethyl)-5-hydroxy-pyrazol-4-yl]methanone |
Molecular Mass |
501.811 g·mol−1 |
Heat of Formation |
-535.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.29 ± 1.08 D |
Volume |
523.28 Å 3 |
Surface Area |
397.56 Å 2 |
HOMO Energy |
-9.78 ± 0.55 eV |
LUMO Energy |
1.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HVZVWLVEDDWLOA-UHFFFAOYSA-N |
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Links |
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Elements |
C
Cl
H
O
N
S
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