Geometry & MOs

Info

ID:

309981

PubChem CID:

126572100

Reduced:

FN2O5C35H45 (1)

Stoich.:

AB2C5D35E45 (1)

Weight, g/mol:

646.378201

ΔHf, kcal/mol:

-237.87

Dipole, Da:

4.82

IP(EA), eV:

 -8.76(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=C(C(=N1)COC)C2=CC=C(C=C2)OCCC3=CC=C(C=C3)F)N4CCC(CC4)(C)C)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations