3-Benzyl-6-(Hydroxymethyl)-1,4-Dimethyl-3,6-Bis(Methylsulfanyl)-2,5-Piperazinedione
Properties
| Property | Value |
|---|---|
| Formula | C16H22N2O3S2 |
| IUPAC Name | (3r,6s)-3-benzyl-6-(hydroxymethyl)-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione |
| Molecular Mass | 354.487 g·mol−1 |
| Heat of Formation | -424.0 ± 16.7 kJ·mol−1 |
| Dipole Moment | 1.65 ± 1.08 D |
| Volume | 413.23 Å 3 |
| Surface Area | 317.21 Å 2 |
| HOMO Energy | -8.64 ± 0.55 eV |
| LUMO Energy | -0.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | WXIJHVRXTHDGKV-CVEARBPZSA-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 |