Serlopitant

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Formula C29H28F7NO2
IUPAC Name 3-[(3ar,4r,5s,7as)-5-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one
Molecular Mass 555.527 g·mol−1
Heat of Formation -1705.6 ± 16.7 kJ·mol−1
Dipole Moment 7.54 ± 1.08 D
Volume 620.51 Å 3
Surface Area 474.34 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -1.35 ± eV
Point Group Symmetry C1
Synonyms
  • 3-[(3ar,4r,5s,7as)-5-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-1-cyclopent-2-enone
  • 3-[(3ar,4r,5s,7as)-5-[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-(4-fluorophenyl)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]cyclopent-2-en-1-one
InChIKey FLNYCRJBCNNHRH-OIYLJQICSA-N
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