Geometry & MOs

Info

ID:

229123

PubChem CID:

87567005

Reduced:

ON4F7H17C23 (1)

Stoich.:

AB4C7D17E23 (1)

Weight, g/mol:

547.150602

ΔHf, kcal/mol:

-288.15

Dipole, Da:

5.09

IP(EA), eV:

 -8.61(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-(4-fluorophenyl)-2-[[(1R)-1-[4-fluoro-3-(trifluoromethoxy)phenyl]-3-[6-(trifluoromethyl)pyridin-3-yl]propyl]amino]-N-methylacetamide

Drug info:

PubChemData

Smile

C1C2=CC=CN2C=CN1C(C3=CC=CC=C3F)C(=O)NNC4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations