Burapitant

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Properties Simple | Detailed

Formula C31H35Cl2F6N3O3
IUPAC Name 2-[1-[2-[(2s)-4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-piperidyl]-2-methyl-propanamide
Molecular Mass 682.524 g·mol−1
Heat of Formation -1889.2 ± 16.7 kJ·mol−1
Dipole Moment 6.75 ± 1.08 D
Volume 752.98 Å 3
Surface Area 530.23 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy 1.46 ± eV
Point Group Symmetry C1
InChIKey ZLNYUCXXSDDIFU-GDLZYMKVSA-N
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Elements C F H Cl O N