1-{[1,3-Dimethyl-4-(Methylsulfanyl)-1H-Imidazol-3-Ium-5-Yl]Carbonyl}-6-Hydroxy-9H-β-Carboline-3-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C19H16N4O4S |
| IUPAC Name | 3-carboxy-1-(1,3-dimethyl-5-methylsulfanyl-imidazolidine-2,4,5-triide-4-carbonyl)pyrido[3,4-b]indol-9-ium-6-olate |
| Molecular Mass | 396.420 g·mol−1 |
| Heat of Formation | -97.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 27.64 ± 1.08 D |
| Volume | 437.78 Å 3 |
| Surface Area | 367.28 Å 2 |
| HOMO Energy | -6.43 ± 0.55 eV |
| LUMO Energy | -2.17 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VHOWJGBDMHYBED-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |