Geometry & MOs

Info

ID:

436660

PubChem CID:

135206817

Reduced:

FN3O4C34H40 (1)

Stoich.:

AB3C4D34E40 (1)

Weight, g/mol:

654.358134

ΔHf, kcal/mol:

-160.58

Dipole, Da:

3.07

IP(EA), eV:

 -9.14(-0.91)

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]-2-methyl-6-(pyridin-2-ylmethylamino)pyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1=NC=C(C(=C1[C@@H](C(=O)O)OC(C)(C)C)N2CCC(CC2)(C)C)C3=CC(=C(C=C3)OCCC4=CC=C(C=C4)F)C#N

DOS

IR

Vibrations