Geometry & MOs

Info

ID:

309982

PubChem CID:

126572138

Reduced:

FN2O5C39H51 (1)

Stoich.:

AB2C5D39E51 (1)

Weight, g/mol:

656.342564

ΔHf, kcal/mol:

-239.05

Dipole, Da:

4.55

IP(EA), eV:

 -8.77(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-(4,4-dimethylpiperidin-1-yl)-5-[4-[2-(4-fluorophenyl)ethoxy]phenyl]-6-[(4-fluorophenyl)methyl]-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)COCC2CCC2)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC(CC5)(C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations