1-[(2,3-Dihydroxy-4-Sulfo-Phenyl)Methyl]-7-Hydroxy-Isoquinolin-2-Ium-7-Ylium-6-One
Properties
| Property | Value |
|---|---|
| Formula | C16H15NO7S+ |
| IUPAC Name | 1-[(2,3-dihydroxy-4-sulfo-phenyl)methyl]-7-hydroxy-isoquinolin-2-ium-7-ylium-6-one |
| Molecular Mass | 365.358 g·mol−1 |
| Heat of Formation | -994.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.43 ± 1.08 D |
| Volume | 369.64 Å 3 |
| Surface Area | 327.48 Å 2 |
| HOMO Energy | -8.15 ± 0.55 eV |
| LUMO Energy | -1.64 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WWAUKGWWYQFERS-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |