(2S,4R,5As,9Cs)-5A-Hydroxy-2-Methyl-4-(4-Oxo-3(4H)-Quinazolinyl)-4,5,5A,9C-Tetrahydro-3H-2A,9B-Diazacyclopenta[Jk]Fluorene-1,3(2H)-Dione
Properties
| Property | Value |
|---|---|
| Formula | C22H18N4O4 |
| IUPAC Name | (2s,4r,5as,9cs)-5a-hydroxy-2-methyl-4-(4-oxo-3(4h)-quinazolinyl)-4,5,5a,9c-tetrahydro-3h-2a,9b-diazacyclopenta[jk]fluorene-1,3(2h)-dione |
| Molecular Mass | 402.403 g·mol−1 |
| Heat of Formation | -343.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.68 ± 1.08 D |
| Volume | 438.61 Å 3 |
| Surface Area | 366.71 Å 2 |
| HOMO Energy | -9.18 ± 0.55 eV |
| LUMO Energy | -0.75 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GEURDGODABUDHB-TYTLQBBQSA-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 |