Geometry & MOs

Info

ID:

436638

PubChem CID:

135206442

Reduced:

FN3O4C32H40 (1)

Stoich.:

AB3C4D32E40 (1)

Weight, g/mol:

566.295614

ΔHf, kcal/mol:

-180.56

Dipole, Da:

7.26

IP(EA), eV:

 -8.4(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=N1)C2=NC=C(C(=C2)N3CCC(CC3)(C)C)OCCC4=CC(=CC=C4)F)[C@@H](C(=O)O)OC(C)(C)C

DOS

IR

Vibrations