(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

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Formula C23H29BrN6O5S
IUPAC Name (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
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
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Elements C H O N S Br