2-(2,4-Difluorophenyl)-3-Methyl-1-(1H-1,2,4-Triazol-1-Yl)-3-(6-(1H-1,2,4-Triazol-1-Yl)Pyridazin-3-Ylthio)Butan-2-Ol

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Properties Simple | Detailed

Formula C19H18F2N8OS
IUPAC Name (2s)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-[6-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)pyridazin-3-yl]sulfanyl-2-(2,4-difluorophenyl)-3-methyl-butan-2-ol
Molecular Mass 444.461 g·mol−1
Heat of Formation 190.4 ± 16.7 kJ·mol−1
Dipole Moment 6.19 ± 1.08 D
Volume 481.96 Å 3
Surface Area 396.23 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.81 ± eV
Point Group Symmetry C1
InChIKey ICRBJWBMXZYUGP-LJQANCHMSA-N
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