Formula |
C16H10Cl2F6N4OS |
IUPAC Name |
1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-(2-methylallylamino)-4-[(s)-trifluoromethylsulfinyl]pyrazole-3-carbonitrile |
Molecular Mass |
491.238 g·mol−1 |
Heat of Formation |
-992.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.28 ± 1.08 D |
Volume |
472.98 Å 3 |
Surface Area |
366.4 Å 2 |
HOMO Energy |
-9.64 ± 0.55 eV |
LUMO Energy |
-2.14 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
HVQHXBNMBZJPLK-PMERELPUSA-N |
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Elements |
C
F
H
Cl
O
N
S
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