2,6-Dichloro-N-(3-Isobutyl-1,5-Dimethyl-1H-Pyrazol-4-Yl)-4-[2-(1-Piperazinyl)-4-Pyridinyl]Benzenesulfonamide

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Properties Simple | Detailed

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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