6-(3-Aminobenzyl)-4-Methyl-2-(Methylsulfinyl)-4,6-Dihydro-5H-Thieno[2',3':4,5]Pyrrolo[2,3-D]Pyridazin-5-One
Properties
| Property | Value |
|---|---|
| Formula | C17H16N4O2S2 |
| IUPAC Name | 6-[(3-aminophenyl)methyl]-4-methyl-2-[(r)-methylsulfinyl]thieno[1,2]pyrrolo[3,4-d]pyridazine-4,6-diium-5-one |
| Molecular Mass | 372.465 g·mol−1 |
| Heat of Formation | 152.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.66 ± 1.08 D |
| Volume | 411.33 Å 3 |
| Surface Area | 362.56 Å 2 |
| HOMO Energy | -8.27 ± 0.55 eV |
| LUMO Energy | 2.04 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZWKJWVSEDISQIS-RUZDIDTESA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |