6-Methyl-1-(3-Methylphenyl)-5-(1-Methyl-1H-Pyrazol-5-Yl)-N-{[5-(Methylsulfonyl)-2-Pyridinyl]Methyl}-2-Oxo-1,2-Dihydro-3-Pyridinecarboxamide

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Properties Simple | Detailed

Formula C25H22N5O4S+
IUPAC Name 5-isocyano-6-[[6-methyl-5-(1-methyl-3h-pyrazol-1-ium-3-ylium-5-yl)-1-(m-tolyl)-2-oxo-pyridin-1-ium-3-ide-3-carbonyl]amino]hexa-1,3-diyne-1-sulfinate
Molecular Mass 488.538 g·mol−1
Heat of Formation 380.8 ± 16.7 kJ·mol−1
Dipole Moment 6.62 ± 1.08 D
Volume 554.7 Å 3
Surface Area 504.76 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy -1.22 ± eV
Point Group Symmetry C1
InChIKey YJEYBWGLNFHFFA-UHFFFAOYSA-N
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