(12S,13S,15Z)-15-[(5Z)-5-(3-Chloro-2H-Pyrrol-2-Ylidene)-3-Methoxy-2(5H)-Furanylidene]-13-Isopropyl-2-Azatricyclo[10.2.1.1~3,14~]Hexadeca-1(14),3(16)-Diene
Properties
| Property | Value |
|---|---|
| Formula | C27H33ClN2O2 |
| IUPAC Name | (12s,13s,15z)-15-[(5z)-5-(3-chloro-2h-pyrrol-2-ylidene)-3-methoxy-2(5h)-furanylidene]-13-isopropyl-2-azatricyclo[10.2.1.1 3,14 ]hexadeca-1(14),3(16)-diene |
| Molecular Mass | 453.016 g·mol−1 |
| Heat of Formation | -31.2 ± 16.7 kJ·mol−1 |
| Dipole Moment | 6.06 ± 1.08 D |
| Volume | 556.47 Å 3 |
| Surface Area | 431.34 Å 2 |
| HOMO Energy | -7.95 ± 0.55 eV |
| LUMO Energy | 1.51 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | XEQIXGXEBJYNMG-JSNUOVADSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C N O Cl |