Methyl (10R,11S,12E)-12-Ethylidene-17-Oxo-8,14-Diazapentacyclo[9.5.3.0~1,10~.0~2,7~.0~14,18~]Nonadeca-2,4,6,8-Tetraene-10-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H22N2O3 |
IUPAC Name | methyl (11s,12e,18s)-12-ethylidene-17-oxo-8,14-diazapentacyclo[9.5.3.0 1,10 .0 2,7 .0 14,18 ]nonadeca-2,4,6,8-tetraene-10-carboxylate |
Molecular Mass | 350.411 g·mol−1 |
Heat of Formation | -225.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.50 ± 1.08 D |
Volume | 400.84 Å 3 |
Surface Area | 310.61 Å 2 |
HOMO Energy | -8.93 ± 0.55 eV |
LUMO Energy | -0.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | NOEROADCEPGVQJ-OQTQPSEISA-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 |