(1R,2R,4R,5Z,12R,13S,16Z)-25-(8-Acetoxy-9H-β-Carbolin-1-Yl)-11,22-Diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]Heptacosa-5,16,25-Trien-13-Yl Acetate
Properties
| Property | Value |
|---|---|
| Formula | C40H48N4O4 |
| IUPAC Name | (1r,2r,4r,5z,12r,13s,16z)-25-(8-acetoxy-9h-β-carbolin-1-yl)-11,22-diazapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-5,16,25-trien-13-yl acetate |
| Molecular Mass | 648.834 g·mol−1 |
| Heat of Formation | -356.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 5.46 ± 1.08 D |
| Volume | 795.98 Å 3 |
| Surface Area | 554.09 Å 2 |
| HOMO Energy | -8.14 ± 0.55 eV |
| LUMO Energy | -0.66 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | CYJAFXVWQWMEGQ-GNVPBGHGSA-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 |