Geometry & MOs

Info

ID:

436639

PubChem CID:

135206445

Reduced:

F2N2O4C33H40 (1)

Stoich.:

A2B2C4D33E40 (1)

Weight, g/mol:

616.29242

ΔHf, kcal/mol:

-233.24

Dipole, Da:

7.29

IP(EA), eV:

 -8.67(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]-3-(trifluoromethyl)phenyl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C(=NC=C2C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)CF)C(C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations