Formula |
C19H15ClF2NO3PS |
IUPAC Name |
[(1s)-1-(5-chlorobenzothiophen-3-yl)-2-[[(e)-2-(3,4-difluorophenyl)vinyl]amino]-2-oxo-ethyl]-methyl-phosphinic acid |
Molecular Mass |
441.816 g·mol−1 |
Heat of Formation |
-839.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.53 ± 1.08 D |
Volume |
470.59 Å 3 |
Surface Area |
412.65 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
1.86 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SEXLHAASDZPHOM-DKFQHHCZSA-N |
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Elements |
C
F
H
Cl
O
N
P
S
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