2-{Ethyl[(5-{[6-Methyl-3-(1H-Pyrazol-4-Yl)Imidazo[1,2-A]Pyrazin-8-Yl]Amino}-1,2-Thiazol-3-Yl)Methyl]Amino}-2-Methyl-1-Propanol

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Properties Simple | Detailed

Formula C20H26N8OS
IUPAC Name 2-[ethyl-[[5-[(6-methyl-3-pyrazol-1-ium-2-id-4-yl-5h-imidazo[1,2-a]pyrazine-1,7-diium-3,5-diid-8-yl)amino]isothiazol-3-yl]methyl]amino]-2-methyl-propan-1-ol
Molecular Mass 426.538 g·mol−1
Heat of Formation 374.0 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 514.0 Å 3
Surface Area 417.51 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey RHGZQGXELRMGES-UHFFFAOYSA-N
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