(3S,6S,9S,16R,21As)-3-Ethyl-16-Isobutyl-6-Isopropyl-8,9-Dimethyldodecahydropyrrolo[1,2-D][1,4,7,10,13,16]Oxapentaazacyclononadecine-1,4,7,10,14,17(11H,16H)-Hexone
Properties
| Property | Value |
|---|---|
| Formula | C27H45N5O7 |
| IUPAC Name | (3r,10s,13s,16s,19s)-16-ethyl-3-isobutyl-13-isopropyl-10,11-dimethyl-4-oxa-1,8,11,14,17-pentazabicyclo[17.3.0]docosane-2,5,9,12,15,18-hexone |
| Molecular Mass | 551.675 g·mol−1 |
| Heat of Formation | -1531.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.68 ± 1.08 D |
| Volume | 699.43 Å 3 |
| Surface Area | 502.26 Å 2 |
| HOMO Energy | -9.26 ± 0.55 eV |
| LUMO Energy | 0.95 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | DXGREKPJNZCYLD-UERWRGBPSA-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 |