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

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Formula C19H21N4O3S
IUPAC Name 1-[(1,3-dimethyl-5-methylsulfanyl-2h-imidazol-2-id-4-yl)methyl]-6-oxo-4,5-dihydropyrido[3,4-b]indole-2,9-diium-4,4a,5-triide-3-carboxylic acid
Molecular Mass 385.460 g·mol−1
Heat of Formation -0.0 ± 16.7 kJ·mol−1
Dipole Moment 27.12 ± 1.08 D
Volume 435.25 Å 3
Surface Area 350.38 Å 2
HOMO Energy -6.20 ± 0.55 eV
LUMO Energy -2.25 ± eV
Point Group Symmetry C1
InChIKey FDLNKPJGPHESQC-UHFFFAOYSA-N
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