(1S,11S)-11-(Hydroxymethyl)-15-Methyl-6-Nitro-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 | C13H11N3O5S2 |
| IUPAC Name | (1s,11s)-11-(hydroxymethyl)-15-methyl-6-nitro-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 | 353.374 g·mol−1 |
| Heat of Formation | -314.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.88 ± 1.08 D |
| Volume | 351.64 Å 3 |
| Surface Area | 299.25 Å 2 |
| HOMO Energy | -9.14 ± 0.55 eV |
| LUMO Energy | -1.92 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VRFJINVAZRAFHH-STQMWFEESA-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 |