Formula |
C18H13ClF4N2O3 |
IUPAC Name |
(2s)-3-(4-chloro-3-fluoro-phenoxy)-n-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-propanamide |
Molecular Mass |
416.754 g·mol−1 |
Heat of Formation |
-1122.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.35 ± 1.08 D |
Volume |
431.37 Å 3 |
Surface Area |
387.88 Å 2 |
HOMO Energy |
-9.72 ± 0.55 eV |
LUMO Energy |
1.53 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SSFVOEAXHZGTRJ-KRWDZBQOSA-N |
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Elements |
C
Cl
H
F
O
N
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