(3S,6S)-6-(4-Aminobutyl)-3-Isopropyl-13-(10-Methylundecyl)-1,4,7,10-Tetraazacyclotridecane-2,5,8,11-Tetrone
Properties
| Property | Value |
|---|---|
| Formula | C28H53N5O4 |
| IUPAC Name | (3s,6s,13r)-6-(4-aminobutyl)-3-(1-methylethyl)-13-(10-methylundecyl)-1,4,7,10-tetrazacyclotridecane-2,5,8,11-tetrone |
| Molecular Mass | 523.752 g·mol−1 |
| Heat of Formation | -1092.8 ± 16.7 kJ·mol−1 |
| Dipole Moment | 11.84 ± 1.08 D |
| Volume | 720.97 Å 3 |
| Surface Area | 594.39 Å 2 |
| HOMO Energy | -9.63 ± 0.55 eV |
| LUMO Energy | 0.62 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CQVSTNLAGJAEKO-FXSPECFOSA-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 |