10-(1,3-Benzothiazol-6-Ylsulfonyl)-3-[2-(3,4-Dimethoxyphenoxy)Ethyl]-3,10-Diazabicyclo[4.3.1]Decan-2-One
Properties
| Property | Value |
|---|---|
| Formula | C25H29N3O6S2 |
| IUPAC Name | (1r,6s,10r)-10-(1,3-benzothiazol-6-ylsulfonyl)-4-[2-(3,4-dimethoxyphenoxy)ethyl]-4,10-diazabicyclo[4.3.1]decan-5-one |
| Molecular Mass | 531.644 g·mol−1 |
| Heat of Formation | -672.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.49 ± 1.08 D |
| Volume | 605.38 Å 3 |
| Surface Area | 468.36 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | 1.57 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | TYHBYWWSKXMBHC-UTKZUKDTSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |