Formula |
C19H18ClF4N3O3S |
IUPAC Name |
3-chloro-4-[(1s,2r,4s)-4-[4-fluoro-2-(trifluoromethyl)phenyl]-2-methyl-piperazin-1-yl]sulfonyl-benzamide |
Molecular Mass |
479.876 g·mol−1 |
Heat of Formation |
-1183.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.09 ± 1.08 D |
Volume |
491.89 Å 3 |
Surface Area |
394.65 Å 2 |
HOMO Energy |
-9.44 ± 0.55 eV |
LUMO Energy |
-1.77 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OMWNFYWEMXUREB-LLVKDONJSA-N |
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Elements |
C
F
H
Cl
O
N
S
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