Formula |
C24H30Cl2N6O2S |
IUPAC Name |
2,6-dichloro-n-(3-isobutyl-1,5-dimethyl-pyrazol-1-ium-5-ylium-4-yl)-4-(2-piperazin-1-yl-4-pyridyl)benzenesulfonamide |
Molecular Mass |
537.505 g·mol−1 |
Heat of Formation |
-87.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.00 ± 1.08 D |
Volume |
603.33 Å 3 |
Surface Area |
468.94 Å 2 |
HOMO Energy |
-8.87 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WKTSLVQYGBHNRV-UHFFFAOYSA-N |
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Elements |
C
Cl
H
O
N
S
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