N-[(2S,3R)-4-{[(4'S)-6'-(2,2-Dimethylpropyl)-3',4'-Dihydrospiro[Cyclobutane-1,2'-Pyrano[2,3-B]Pyridin]-4'-Yl]Amino}-1-(4-Fluorophenyl)-3-Hydroxy-2-Butanyl]Acetamide

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Formula C28H38FN3O3
IUPAC Name n-[(1s,2r)-3-[[(4s)-6-(2,2-dimethylpropyl)spiro[3,4-dihydropyrano[2,3-b]pyridine-2,1'-cyclobutane]-4-yl]amino]-1-[(4-fluorophenyl)methyl]-2-hydroxy-propyl]acetamide
Molecular Mass 483.618 g·mol−1
Heat of Formation -678.6 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 619.18 Å 3
Surface Area 499.82 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.69 ± eV
Point Group Symmetry C1
InChIKey FBJQDUYQPYABBR-CCDWMCETSA-N
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