(3S,6R,9S,15As)-6-Benzyl-9-Isobutyl-3-{6-[(2S)-2-Oxiranyl]-6-Oxohexyl}Octahydro-2H-Pyrido[1,2-A][1,4,7,10]Tetraazacyclododecine-1,4,7,10(3H,12H)-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C31H44N4O6 |
| IUPAC Name | (3s,6r,9s,12s)-6-benzyl-3-isobutyl-9-[6-[(2s)-oxiran-2-yl]-6-oxo-hexyl]-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone |
| Molecular Mass | 568.704 g·mol−1 |
| Heat of Formation | -1002.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.79 ± 1.08 D |
| Volume | 717.22 Å 3 |
| Surface Area | 569.75 Å 2 |
| HOMO Energy | -9.43 ± 0.55 eV |
| LUMO Energy | 0.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DYQZJCUKWTVTLH-BUYUYZSNSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C O N |