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
Properties
Property | Value |
---|---|
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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C S O N |