[1-[[4-[3-[[(4S)-4-Cyano-4-(3,4-Dimethoxyphenyl)-5-Methyl-Hexyl]Amino]Propyl]Phenyl]-Methyl-Carbamoyl]-2,2,2-Trifluoro-Ethyl]-Λ1-Azanyl-Azanide

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Formula C29H40F3N5O3
IUPAC Name [1-[[4-[3-[[(4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]amino]propyl]phenyl]-methyl-carbamoyl]-2,2,2-trifluoro-ethyl]-λ1-azanyl-azanide
Molecular Mass 563.655 g·mol−1
Heat of Formation -723.7 ± 16.7 kJ·mol−1
Dipole Moment 10.48 ± 1.08 D
Volume 686.61 Å 3
Surface Area 571.43 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 1.83 ± eV
Point Group Symmetry C1
InChIKey HOTGSXSFQMOMQA-BJBWNOGKSA-N
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Elements H C N O F