(3S,9R)-9-Benzyl-6,6-Dimethyl-3-[6-(2-Oxiranyl)-6-Oxohexyl]Decahydropyrrolo[1,2-A][1,4,7,10]Tetraazacyclododecine-1,4,7,10-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C28H38N4O6 |
| IUPAC Name | (3r,9s,12r)-3-benzyl-6,6-dimethyl-9-[6-[(2r)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone |
| Molecular Mass | 526.625 g·mol−1 |
| Heat of Formation | -922.4 ± 16.7 kJ·mol−1 |
| Dipole Moment | 7.35 ± 1.08 D |
| Volume | 644.62 Å 3 |
| Surface Area | 519.13 Å 2 |
| HOMO Energy | -9.32 ± 0.55 eV |
| LUMO Energy | 0.22 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | SGYJGGKDGBXCNY-ZZLPTCMGSA-N |
| QR Code | Generate QR Code |
| Links | ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |