Geometry & MOs

Info

ID:

436659

PubChem CID:

135206675

Reduced:

FN2O2C19H22 (2)

Stoich.:

AB2C2D19E22 (2)

Weight, g/mol:

573.300285

ΔHf, kcal/mol:

-196.9

Dipole, Da:

5.36

IP(EA), eV:

 -8.61(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)NC2=C(N=CC=C2)F)C3=CC=C(C=C3)OCCC4=CC=C(C=C4)F)N5CCC(CC5)(C)C)C(C(=O)O)OC(C)(C)C

DOS

IR

Vibrations