6-(7-Chloro-1,8-Naphthyridin-2-Yl)-7-Oxo-2,3,6,7-Tetrahydro-5H-[1,4]Dithiino[2,3-C]Pyrrol-5-Yl 1-Piperazinecarboxylate
Properties
| Property | Value |
|---|---|
| Formula | C19H18ClN5O3S2 |
| IUPAC Name | [(7r)-6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] piperazine-1-carboxylate |
| Molecular Mass | 463.961 g·mol−1 |
| Heat of Formation | -123.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.55 ± 1.08 D |
| Volume | 486.95 Å 3 |
| Surface Area | 376.19 Å 2 |
| HOMO Energy | -8.14 ± 0.55 eV |
| LUMO Energy | -1.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SBBGVRDSHSVLOV-GOSISDBHSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |