[(7S)-6-(7-Chloro-1,8-Naphthyridine-1,8-Diium-4A-Id-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
Properties
| Property | Value |
|---|---|
| Formula | C20H21ClN5O4S2+ |
| IUPAC Name | [(7s)-6-(7-chloro-1,8-naphthyridin-2-yl)-5-oxo-3,7-dihydro-2h-[1,4]dithiino[2,3-c]pyrrol-7-yl] 4-hydroxy-4-methyl-piperazin-4-ium-1-carboxylate |
| Molecular Mass | 494.995 g·mol−1 |
| Heat of Formation | -108.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.26 ± 1.08 D |
| Volume | 525.0 Å 3 |
| Surface Area | 419.23 Å 2 |
| HOMO Energy | -8.51 ± 0.55 eV |
| LUMO Energy | 1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | IMCVJPZQYXTDIL-IBGZPJMESA-N |
| QR Code | Generate QR Code |
| Links | |
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| Elements | C Cl H O N S |