4-[4-(3-Aminophenyl)-1,3-Butadiyn-1-Yl]-N-[(2S,3R)-3-Hydroxy-1-Nitroso-1-Oxo-2-Butanyl]Benzamide
Properties
| Property | Value |
|---|---|
| Formula | C21H17N3O4 |
| IUPAC Name | 4-[4-(3-aminophenyl)buta-1,3-diynyl]-n-[(1s,2r)-2-hydroxy-1-(oxocarbamoyl)propyl]benzamide |
| Molecular Mass | 375.377 g·mol−1 |
| Heat of Formation | 200.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.99 ± 1.08 D |
| Volume | 446.36 Å 3 |
| Surface Area | 412.05 Å 2 |
| HOMO Energy | -8.69 ± 0.55 eV |
| LUMO Energy | -1.28 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | HOPLGMFTTVLMDZ-KUHUBIRLSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |