Rolapitant

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Formula C25H26F6N2O2
IUPAC Name (5s,8s)-8-[[(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]methyl]-8-phenyl-1,9-diazaspiro[4.5]decan-2-one
Molecular Mass 500.477 g·mol−1
Heat of Formation -1572.6 ± 16.7 kJ·mol−1
Dipole Moment 3.82 ± 1.08 D
Volume 550.81 Å 3
Surface Area 427.51 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
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InChIKey FIVSJYGQAIEMOC-ZGNKEGEESA-N
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