2-[2-Ethoxy-5-(1-Piperidylsulfonyl)Phenyl]-5-Methyl-7-Propyl-Imidazo[5,1-F][1,2,4]Triazine-1,8-Diium-4-One
Properties
| Property | Value |
|---|---|
| Formula | C22H36N5O4S+ |
| IUPAC Name | 2-[2-ethoxy-5-(1-piperidylsulfonyl)phenyl]-5-methyl-7-propyl-imidazo[5,1-f][1,2,4]triazine-1,8-diium-4-one |
| Molecular Mass | 466.617 g·mol−1 |
| Heat of Formation | -357.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 10.68 ± 1.08 D |
| Volume | 537.37 Å 3 |
| Surface Area | 446.74 Å 2 |
| HOMO Energy | -9.15 ± 0.55 eV |
| LUMO Energy | -1.54 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | OKYQBQUKQIKAOE-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Elements | H S C O N |