1-[1-(2-Methylsulfonylcyclohexyl)-7-Propoxy-2,5,6,8-Tetrahydroindolizine-1,2,3,5,6,7,8,8A-Octaid-3-Yl]Ethanone
Properties
| Property | Value |
|---|---|
| Formula | C20H36NO4S+ |
| IUPAC Name | 1-[(1s,3s,4s,7r,8as)-1-[(1r,2r)-2-methylsulfonylcyclohexyl]-7-propoxy-2,3,4,5,6,7,8,8a-octahydro-1h-indolizin-4-ium-3-yl]ethanone |
| Molecular Mass | 386.569 g·mol−1 |
| Heat of Formation | -471.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.17 ± 1.08 D |
| Volume | 426.8 Å 3 |
| Surface Area | 370.23 Å 2 |
| HOMO Energy | -8.57 ± 0.55 eV |
| LUMO Energy | -1.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NKTIHOINLPMFBC-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |