[(4R,7R)-6-(7-Chloro-1,8-Naphthyridine-1,8-Diium-4A-Id-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
Properties
| Property | Value |
|---|---|
| Formula | C20H21ClN5O5S2+ |
| IUPAC Name | [(4r,7r)-6-(7-chloro-1,8-naphthyridine-1,8-diium-4a-id-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 | 510.994 g·mol−1 |
| Heat of Formation | -273.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.95 ± 1.08 D |
| Volume | 532.41 Å 3 |
| Surface Area | 408.6 Å 2 |
| HOMO Energy | -8.70 ± 0.55 eV |
| LUMO Energy | 1.44 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QBSULEAACUAXGN-AONNBLCTSA-N |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C Cl H O N S |