(3S)-3-[(1R)-2-{[(4S)-6-Ethyl-3,4-Dihydrospiro[Chromene-2,1'-Cyclobutan]-4-Yl]Amino}-1-Hydroxyethyl]-4-Azabicyclo[11.3.1]Heptadeca-1(17),13,15-Trien-5-One
Properties
Property | Value |
---|---|
Formula | C32H44N2O3 |
IUPAC Name | (11s)-11-[(1r)-2-[[(4s)-6-ethylspiro[chromane-2,1'-cyclobutane]-4-yl]amino]-1-hydroxy-ethyl]-10-azabicyclo[11.3.1]heptadeca-1(17),13,15-trien-9-one |
Molecular Mass | 504.703 g·mol−1 |
Heat of Formation | -558.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.12 ± 1.08 D |
Volume | 656.46 Å 3 |
Surface Area | 517.03 Å 2 |
HOMO Energy | -8.47 ± 0.55 eV |
LUMO Energy | 3.30 ± eV |
Point Group Symmetry | C1 |
InChIKey | QPAQZVPVDCXNCF-YTCPBCGMSA-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 |