Formula |
C18H17ClFN3O3S |
IUPAC Name |
n-[(1r)-1-[4-(2-chloro-5-fluoro-3-pyridyl)phenyl]ethyl]-3,5-dimethyl-isoxazole-4-sulfonamide |
Molecular Mass |
409.862 g·mol−1 |
Heat of Formation |
-348.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.70 ± 1.08 D |
Volume |
444.92 Å 3 |
Surface Area |
380.17 Å 2 |
HOMO Energy |
-9.64 ± 0.55 eV |
LUMO Energy |
2.01 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UOZIRTCHSJAAOG-SNVBAGLBSA-N |
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Elements |
C
Cl
H
F
O
N
S
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