(1R,2R,4R,5Z,12R,13S,16Z)-25-(4,9-Dihydro-3H-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-Ol
Properties
| Property | Value |
|---|---|
| Formula | C36H46N4O |
| IUPAC Name | (1r,2r,4r,5z,12r,13s,16z)-25-(4,9-dihydro-3h-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-ol |
| Molecular Mass | 550.777 g·mol−1 |
| Heat of Formation | 165.7 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.16 ± 1.08 D |
| Volume | 680.55 Å 3 |
| Surface Area | 478.83 Å 2 |
| HOMO Energy | -8.03 ± 0.55 eV |
| LUMO Energy | -0.79 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | GILIOBQLHZOVPZ-MKYGIPPKSA-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 |