1-(5-Tert-Butyl-2-Phenyl-4H-Pyrazol-2-Ium-4-Id-3-Yl)-3-[[2-[(9-Isopropyl-8-Aza-1-Azonia-7-Azanidabicyclo[4.3.0]Nona-1,3,5,8-Tetraen-3-Yl)Sulfanyl]Phenyl]Methyl]Urea
Properties
| Property | Value |
|---|---|
| Formula | C30H34N7OS+ |
| IUPAC Name | 1-(5-tert-butyl-2-phenyl-pyrazol-3-yl)-3-[[2-[(3-isopropyl-2h-[1,2,4]triazolo[4,3-a]pyridin-4-ium-6-yl)sulfanyl]phenyl]methyl]urea |
| Molecular Mass | 540.702 g·mol−1 |
| Heat of Formation | 418.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.24 ± 1.08 D |
| Volume | 662.47 Å 3 |
| Surface Area | 555.45 Å 2 |
| HOMO Energy | -8.82 ± 0.55 eV |
| LUMO Energy | 1.88 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | AMVKLLMHVGVAEI-UHFFFAOYSA-O |
| QR Code | Generate QR Code |
| Links | |
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| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |