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
Properties
| Property | Value |
|---|---|
| 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 |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |