6-(7-Chloro-1,8-Naphthyridin-2-Yl)-1-Oxido-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 | C20H20ClN5O5S2 |
| IUPAC Name | [(7r)-6-(7-chloro-1,8-naphthyridin-2-yl)-4,5-dioxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-methyl-4-oxido-piperazin-4-ium-1-carboxylate |
| Molecular Mass | 509.986 g·mol−1 |
| Heat of Formation | 1905.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.19 ± 1.08 D |
| Volume | 501.82 Å 3 |
| Surface Area | 409.25 Å 2 |
| HOMO Energy | -9.46 ± 0.55 eV |
| LUMO Energy | -3.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GFCPXMGZCYONLV-AONNBLCTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | S N C O Cl |