Geometry & MOs

Info

ID:

313532

PubChem CID:

126615441

Reduced:

NF2O4H37C39 (1)

Stoich.:

AB2C4D37E39 (1)

Weight, g/mol:

624.22229

ΔHf, kcal/mol:

-178.22

Dipole, Da:

2.19

IP(EA), eV:

 -8.7(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[5-[[3-[3,5-bis(trifluoromethyl)phenyl]-3-methyl-2-oxobutyl]amino]-4-(4-fluoro-2-methylphenyl)pyridin-2-yl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(=O)CC1=C(N=C(C(=C1C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)C4=CC=C(C=C4)OCCC5=CC=C(C=C5)F)C)C

DOS

IR

Vibrations