(1R)-7-Hydroxy-11-(Hydroxymethyl)-15-Methyl-12,13-Dithia-9,15-Diazatetracyclo[9.2.2.0~1,9~.0~3,8~]Pentadeca-3,5,7-Triene-10,14-Dione
Properties
| Property | Value |
|---|---|
| Formula | C13H12N2O4S2 |
| IUPAC Name | (1r)-7-hydroxy-11-(hydroxymethyl)-15-methyl-12,13-dithia-9,15-diazatetracyclo[9.2.2.0 1,9 .0 3,8 ]pentadeca-3,5,7-triene-10,14-dione |
| Molecular Mass | 324.375 g·mol−1 |
| Heat of Formation | -507.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.47 ± 1.08 D |
| Volume | 324.36 Å 3 |
| Surface Area | 275.55 Å 2 |
| HOMO Energy | -9.02 ± 0.55 eV |
| LUMO Energy | -1.85 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | BNNLUYCZQNYABS-CHWSQXEVSA-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 |