(1R,4R,5Z,12R,13S,16Z)-26-(8-Hydroxy-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-Ol
Properties
| Property | Value |
|---|---|
| Formula | C36H100N4O2 |
| IUPAC Name | (1r,2s,4s,5z,11s,12r,13r,16z)-13-hydroxy-26-(8-hydroxy-9h-β-carbolin-1-yl)-11,22-diazoniapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-5,16,25-triene |
| Molecular Mass | 637.332 g·mol−1 |
| Heat of Formation | 3802.9 ± 16.7 kJ·mol−1 |
| Dipole Moment | 2.15 ± 1.08 D |
| Volume | 490.24 Å 3 |
| Surface Area | 396.78 Å 2 |
| HOMO Energy | -8.86 ± 0.55 eV |
| LUMO Energy | -2.61 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | NJWZIVLVINWAQS-CBTONVFUSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | C O N |