(2S,3As,7As)-2-Butyl-3-[[4-[2-(2H-Tetrazol-5-Yl)Phenyl]Phenyl]Methyl]-5-(2-Thienylmethyl)-2,3A,5,6,7,7A-Hexahydro-1H-Imidazo[4,5-C]Pyridin-5-Ium-4-One
Properties
| Property | Value |
|---|---|
| Formula | C29H34N7OS+ |
| IUPAC Name | (2s,3as,7as)-2-butyl-3-[[4-[2-(2h-tetrazol-5-yl)phenyl]phenyl]methyl]-5-(2-thienylmethyl)-2,3a,5,6,7,7a-hexahydro-1h-imidazo[4,5-c]pyridin-5-ium-4-one |
| Molecular Mass | 528.692 g·mol−1 |
| Heat of Formation | 558.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.61 ± 1.08 D |
| Volume | 628.16 Å 3 |
| Surface Area | 477.42 Å 2 |
| HOMO Energy | -8.56 ± 0.55 eV |
| LUMO Energy | -0.53 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GCMOYEBXZXJENH-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H S C O N |