N-{[2-(2-Amino-3,4-Dioxo-1-Cyclobuten-1-Yl)-1,2,3,4-Tetrahydro-7-Isoquinolinyl]Methyl}-4-Oxo-1,5,6,8-Tetrahydro-4H-Thiopyrano[4',3':4,5]Thieno[2,3-D]Pyrimidine-2-Carboxamide 7,7-Dioxide
Properties
| Property | Value |
|---|---|
| Formula | C24H21N5O6S2 |
| IUPAC Name | n-[[(2s)-2-(2-amino-3,4-dioxo-cyclobuten-1-yl)-3,4-dihydro-1h-isoquinolin-7-yl]methyl]-4,7,7-trioxo-6,8-dihydro-5h-thiopyrano[4,5]thieno[1,2-c]pyrimidine-3,9-diium-2-carboxamide |
| Molecular Mass | 539.583 g·mol−1 |
| Heat of Formation | -468.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 3.29 ± 1.08 D |
| Volume | 566.44 Å 3 |
| Surface Area | 492.11 Å 2 |
| HOMO Energy | -8.48 ± 0.55 eV |
| LUMO Energy | -2.08 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | QHDIXGPUTSAIJX-UHFFFAOYSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |