6-[(1E)-2-Phenyl-N-(5-Thioxo-1,5-Dihydro-4H-1,2,4-Triazol-4-Yl)Ethanimidoyl]-2H-1,4-Benzoxazin-3(4H)-One
Properties
| Property | Value |
|---|---|
| Formula | C18H15N5O2S |
| IUPAC Name | 6-[(1e)-2-phenyl-n-(5-thioxo-1,5-dihydro-4h-1,2,4-triazol-4-yl)ethanimidoyl]-2h-1,4-benzoxazin-3(4h)-one |
| Molecular Mass | 365.409 g·mol−1 |
| Heat of Formation | 251.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.39 ± 1.08 D |
| Volume | 414.22 Å 3 |
| Surface Area | 343.08 Å 2 |
| HOMO Energy | -8.91 ± 0.55 eV |
| LUMO Energy | -1.41 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | VWKIYKOULJUXRZ-HYARGMPZSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |