(1R,2R,6S,7S)-4-{[(1R,2R)-2-{[4-(1,2-Benzothiazol-3-Yl)-1-Piperazinyl]Methyl}Cyclohexyl]Methyl}-4-Azatricyclo[5.2.1.0~2,6~]Decane-3,5-Dione
Properties
| Property | Value |
|---|---|
| Formula | C28H36N4O2S |
| IUPAC Name | (1r,2r,6s,7s)-4-{[(1r,2r)-2-{[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]methyl}cyclohexyl]methyl}-4-azatricyclo[5.2.1.0 2,6 ]decane-3,5-dione |
| Molecular Mass | 492.676 g·mol−1 |
| Heat of Formation | -177.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.63 ± 1.08 D |
| Volume | 593.29 Å 3 |
| Surface Area | 461.26 Å 2 |
| HOMO Energy | -8.15 ± 0.55 eV |
| LUMO Energy | 2.49 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | PQXKDMSYBGKCJA-GGYSQDOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |