3-[2-(3,4-Dimethoxyphenoxy)Ethyl]-10-[(2-Oxo-2,3-Dihydro-1,3-Benzothiazol-6-Yl)Sulfonyl]-3,10-Diazabicyclo[4.3.1]Decan-2-One
Properties
| Property | Value |
|---|---|
| Formula | C25H29N3O7S2 |
| IUPAC Name | 6-[[(1r,6s,10r)-4-[2-(3,4-dimethoxyphenoxy)ethyl]-5-oxo-4,10-diazabicyclo[4.3.1]decan-10-yl]sulfonyl]-1,3-benzothiazol-2-one |
| Molecular Mass | 547.644 g·mol−1 |
| Heat of Formation | -927.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.66 ± 1.08 D |
| Volume | 607.21 Å 3 |
| Surface Area | 466.04 Å 2 |
| HOMO Energy | -7.86 ± 0.55 eV |
| LUMO Energy | 1.67 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZRLORMGNOHTVCB-UZLBHIALSA-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 |