(2S)-2-[(2S,4S)-2-Ethyl-2-(3-Isothiocyanatophenyl)-1,3-Dioxolan-4-Yl]Piperidine
Properties
| Property | Value |
|---|---|
| Formula | C17H22N2O2S |
| IUPAC Name | (2r)-2-[(2r,4r)-2-ethyl-2-(3-isothiocyanatophenyl)-1,3-dioxolan-4-yl]piperidine |
| Molecular Mass | 318.434 g·mol−1 |
| Heat of Formation | -162.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.97 ± 1.08 D |
| Volume | 382.86 Å 3 |
| Surface Area | 339.02 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -0.94 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | YLEFFVJJULTPHH-IXDOHACOSA-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 |