N-[4-(2-Amino-1H-Imidazol-4-Yl)Cyclohexyl]-1,3-Dioxo-2-[2-(Phenylsulfonyl)Ethyl]-2,3,5,8-Tetrahydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazine-5-Carboxamide

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Formula C24H30N7O5S+
IUPAC Name n-[4-(2-amino-1h-imidazol-4-yl)cyclohexyl]-1,3-dioxo-2-[2-(phenylsulfonyl)ethyl]-2,3,5,8-tetrahydro-1h-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide
Molecular Mass 528.604 g·mol−1
Heat of Formation -455.3 ± 16.7 kJ·mol−1
Dipole Moment 12.53 ± 1.08 D
Volume 595.61 Å 3
Surface Area 497.78 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.70 ± eV
Point Group Symmetry C1
InChIKey RRUPLXTVXFHADQ-ZWOKBUDYSA-N
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