N-[(2S)-3-Methyl-2-{1-[(3R,5E)-2-Oxo-5-Hepten-3-Yl]-1H-1,2,3-Triazol-4-Yl}-2-Butanyl]Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C21H28N4O2 |
| IUPAC Name | n-[(1s)-1-[1-[(e,1r)-1-acetylpent-3-enyl]-2-aza-1-azonia-3-azanidacyclopenta-1,4-dien-4-yl]-1,2-dimethyl-propyl]benzamide |
| Molecular Mass | 368.473 g·mol−1 |
| Heat of Formation | -79.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.10 ± 1.08 D |
| Volume | 475.02 Å 3 |
| Surface Area | 402.78 Å 2 |
| HOMO Energy | -9.40 ± 0.55 eV |
| LUMO Energy | 2.91 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OEHUTYXPQSSKAK-RVLLMHTFSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |