N-{3-[(4S,5R)-2-Amino-5-Fluoro-4-(Fluoromethyl)-5,6-Dihydro-4H-1,3-Oxazin-4-Yl]-4-Fluorophenyl}-5-Cyano-2-Pyridinecarboxamide
Properties
| Property | Value |
|---|---|
| Formula | C18H14F3N5O2 |
| IUPAC Name | n-[3-[(4s,5r)-2-amino-5-fluoro-4-(fluoromethyl)-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoro-phenyl]-5-cyano-pyridine-2-carboxamide |
| Molecular Mass | 389.331 g·mol−1 |
| Heat of Formation | -462.5 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.03 ± 1.08 D |
| Volume | 410.56 Å 3 |
| Surface Area | 365.66 Å 2 |
| HOMO Energy | -9.20 ± 0.55 eV |
| LUMO Energy | 1.09 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | MMPPCMJOPZGPPA-MAUKXSAKSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C F O N |