(1S,2R,10R,12R,13R,21Z)-26-(9H-β-Carbolin-1-Yl)-28-Oxa-3,16-Diazahexacyclo[11.11.2.1~1,10~.1~12,16~.0~2,12~.0~3,10~]Octacosa-21,25-Dien-7-One
Properties
| Property | Value |
|---|---|
| Formula | C36H42N4O2 |
| IUPAC Name | (1s,2r,10r,12r,13r,21z)-26-(9h-β-carbolin-1-yl)-28-oxa-3,16-diazahexacyclo[11.11.2.1 1,10 .1 12,16 .0 2,12 .0 3,10 ]octacosa-21,25-dien-7-one |
| Molecular Mass | 562.744 g·mol−1 |
| Heat of Formation | 21.6 ± 16.7 kJ·mol−1 |
| Dipole Moment | 4.66 ± 1.08 D |
| Volume | 673.16 Å 3 |
| Surface Area | 490.87 Å 2 |
| HOMO Energy | -8.42 ± 0.55 eV |
| LUMO Energy | 2.21 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XYMOBPPDZDVIQE-IUTPLNCYSA-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 |