(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

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Properties Simple | Detailed

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
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