4-[(5S)-3-Chloro-5,6-Dihydrobenzo[B][1]Benzothiepin-5-Yl]-1-Methyl-1-Oxido-Piperazin-1-Ium
Properties
| Property | Value |
|---|---|
| Formula | C19H22ClN2OS+ |
| IUPAC Name | 4-[(5s)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-1-hydroxy-1-methyl-piperazin-1-ium |
| Molecular Mass | 361.909 g·mol−1 |
| Heat of Formation | 211.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.15 ± 1.08 D |
| Volume | 418.19 Å 3 |
| Surface Area | 331.78 Å 2 |
| HOMO Energy | -8.24 ± 0.55 eV |
| LUMO Energy | 2.38 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MEZDFYZDLYZCDM-KRWDZBQOSA-N |
| QR Code | Generate QR Code |
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| Elements | C Cl H O N S |