5-{5-[(4Ar,7Ar)-2-Amino-3-Methyl-4-Oxo-6-Phenyl-3,4,4A,5,6,7-Hexahydro-7Ah-Pyrrolo[3,4-D]Pyrimidin-7A-Yl]-2-Thienyl}-2-Fluorobenzonitrile
Properties
| Property | Value |
|---|---|
| Formula | C24H20FN5OS |
| IUPAC Name | 5-[5-[(4ar,7ar)-2-amino-3-methyl-4-oxo-6-phenyl-5,7-dihydro-4ah-pyrrolo[3,4-d]pyrimidin-7a-yl]-2-thienyl]-2-fluoro-benzonitrile |
| Molecular Mass | 445.512 g·mol−1 |
| Heat of Formation | 206.3 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.29 ± 1.08 D |
| Volume | 502.68 Å 3 |
| Surface Area | 406.05 Å 2 |
| HOMO Energy | -8.80 ± 0.55 eV |
| LUMO Energy | 1.73 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DWVJKKOFIHHAKC-UUOWRZLLSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C F H O N S |