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 4-Methyl-1-Piperazinecarboxylate 4-Oxide
Properties
| Property | Value |
|---|---|
| Formula | C20H20ClN5O4S2 |
| 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] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate |
| Molecular Mass | 493.987 g·mol−1 |
| Heat of Formation | 2159.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.74 ± 1.08 D |
| Volume | 523.38 Å 3 |
| Surface Area | 413.44 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | -2.27 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IKKQUKXEIHSBEI-LJQANCHMSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S N C O Cl |