(5'α,8α,12'Xi)-5'-Benzyl-12'-Hydroxy-2'-Methyl-3',6',18-Trioxoergotaman
Properties
| Property | Value |
|---|---|
| Formula | C33H35N5O5 |
| IUPAC Name | (5'alpha,8alpha,12'xi)-5'-benzyl-12'-hydroxy-2'-methyl-3',6',18-trioxoergotaman |
| Molecular Mass | 581.661 g·mol−1 |
| Heat of Formation | -580.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 8.73 ± 1.08 D |
| Volume | 671.22 Å 3 |
| Surface Area | 458.8 Å 2 |
| HOMO Energy | -8.68 ± 0.55 eV |
| LUMO Energy | -0.65 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XCGSFFUVFURLIX-LZLWSGTPSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |