5-Chloro-3-[2-[4-(2-Hydroxyethyl)-4-Oxido-Piperazin-4-Ium-1-Yl]-2-Oxo-Ethyl]-1,3-Benzothiazol-2-One
Properties
| Property | Value |
|---|---|
| Formula | C15H19ClN3O4S+ |
| IUPAC Name | 5-chloro-3-[2-[4-hydroxy-4-(2-hydroxyethyl)piperazin-4-ium-1-yl]-2-oxo-ethyl]-1,3-benzothiazol-2-one |
| Molecular Mass | 372.847 g·mol−1 |
| Heat of Formation | -439.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.34 ± 1.08 D |
| Volume | 400.4 Å 3 |
| Surface Area | 319.78 Å 2 |
| HOMO Energy | -9.23 ± 0.55 eV |
| LUMO Energy | 1.82 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | JWGRRXASCCAQTB-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
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| Elements | C Cl H O N S |