(1R,2R,4S,12R,13S,16Z)-25-(9H-β-Carbolin-1-Yl)-13-Hydroxy-11,22-Diazapentacyclo[11.11.2.1~2,22~.0~2,12~.0~4,11~]Heptacosa-16,25-Dien-7-One
Properties
Property | Value |
---|---|
Formula | C36H44N4O2 |
IUPAC Name | (1r,2r,4s,12r,13s,16z)-25-(9h-β-carbolin-1-yl)-13-hydroxy-11,22-diazapentacyclo[11.11.2.1 2,22 .0 2,12 .0 4,11 ]heptacosa-16,25-dien-7-one |
Molecular Mass | 564.760 g·mol−1 |
Heat of Formation | -17.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 8.61 ± 1.08 D |
Volume | 680.33 Å 3 |
Surface Area | 489.41 Å 2 |
HOMO Energy | -8.23 ± 0.55 eV |
LUMO Energy | 2.14 ± eV |
Point Group Symmetry | C1 |
InChIKey | LTHULOBARTYAMF-USXRKNPRSA-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 |