Ethyl (9S)-9-[5-(1H-Benzimidazol-2-Ylsulfanyl)-2-Furyl]-8-Hydroxy-5,6,7,9-Tetrahydro-2H-Pyrrolo[3,4-B]Quinoline-3-Carboxylate
Properties
| Property | Value |
|---|---|
| Formula | C25H22N4O4S |
| IUPAC Name | ethyl (9s)-9-[5-(benzimidazol-1-ium-2-ylsulfanyl)-2-furyl]-8-hydroxy-5,6,7,9-tetrahydropyrrolo[3,4-b]quinolin-2-ium-3a-ylium-3-carboxylate |
| Molecular Mass | 474.532 g·mol−1 |
| Heat of Formation | -163.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.10 ± 1.08 D |
| Volume | 532.22 Å 3 |
| Surface Area | 390.62 Å 2 |
| HOMO Energy | -8.29 ± 0.55 eV |
| LUMO Energy | -0.50 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | POXQKNUAFHJFKI-HXUWFJFHSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |