Formula |
C26H22ClF3N2O3 |
IUPAC Name |
[(s)-cyano-(3-phenoxyphenyl)methyl] (2s)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methyl-butanoate |
Molecular Mass |
502.913 g·mol−1 |
Heat of Formation |
-863.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.12 ± 1.08 D |
Volume |
559.68 Å 3 |
Surface Area |
401.54 Å 2 |
HOMO Energy |
-9.04 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
INISTDXBRIBGOC-RPWUZVMVSA-N |
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Links |
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Elements |
C
F
H
Cl
O
N
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