(5S)-2-{2-[(4-Bromophenyl)Sulfonyl]Ethyl}-N-[(4-Carbamimidoylcyclohexyl)Methyl]-1,3-Dioxo-2,3,5,8-Tetrahydro-1H-[1,2,4]Triazolo[1,2-A]Pyridazine-5-Carboxamide
Properties
Property | Value |
---|---|
Formula | C23H29BrN6O5S |
IUPAC Name | (5s)-2-[2-(4-bromophenyl)sulfonylethyl]-n-[(4-carbamimidoylcyclohexyl)methyl]-1,3-dioxo-5,8-dihydro-[1,2,4]triazolo[1,2-a]pyridazine-5-carboxamide |
Molecular Mass | 581.483 g·mol−1 |
Heat of Formation | -581.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 6.46 ± 1.08 D |
Volume | 599.93 Å 3 |
Surface Area | 447.99 Å 2 |
HOMO Energy | -9.66 ± 0.55 eV |
LUMO Energy | 2.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | CAGDDDRYEVLPOJ-BXWFABGCSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | C H O N S Br |