1-(1,3-Dimethyl-5-Methylsulfanyl-2H-Imidazol-2-Ide-4-Carbonyl)-6-Oxo-4,5-Dihydropyrido[3,4-B]Indole-2,9-Diium-4,4B,5-Triide-3-Carboxylic Acid

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Formula C19H19N4O4S
IUPAC Name 1-(1,3-dimethyl-5-methylsulfanyl-2h-imidazol-2-ide-4-carbonyl)-6-oxo-4,5-dihydropyrido[3,4-b]indole-2,9-diium-4,4b,5-triide-3-carboxylic acid
Molecular Mass 399.444 g·mol−1
Heat of Formation -97.0 ± 16.7 kJ·mol−1
Dipole Moment 27.65 ± 1.08 D
Volume 437.74 Å 3
Surface Area 367.24 Å 2
HOMO Energy -6.43 ± 0.55 eV
LUMO Energy -2.17 ± eV
Point Group Symmetry C1
InChIKey JJHJRQKTLUMLDK-UHFFFAOYSA-N
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