Formula |
C17H19ClN4O3S |
IUPAC Name |
5-chloro-n-[[4-(3,5-dimethylisoxazol-4-yl)phenyl]methyl]-1,3-dimethyl-pyrazole-4-sulfonamide |
Molecular Mass |
394.876 g·mol−1 |
Heat of Formation |
-103.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.98 ± 1.08 D |
Volume |
437.51 Å 3 |
Surface Area |
382.77 Å 2 |
HOMO Energy |
-9.28 ± 0.55 eV |
LUMO Energy |
2.68 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XNTNHEPWXKNVBH-UHFFFAOYSA-N |
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Elements |
C
Cl
H
O
N
S
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