Geometry & MOs

Info

ID:

436624

PubChem CID:

135206230

Reduced:

ClFO3N4C32H44 (1)

Stoich.:

ABC3D4E32F44 (1)

Weight, g/mol:

476.248664

ΔHf, kcal/mol:

-171.24

Dipole, Da:

7.04

IP(EA), eV:

 -9.01(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(2,4-difluoro-3-methoxyphenyl)-4-(4,4-dimethylpiperidin-1-yl)-2-methylpyridin-3-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C(=NC(=C2C3=CC(=CN=C3)F)CN4CCC5(CCC5)CC4)Cl)[C@@H](C(=O)O)OC(C)(C)C)C

DOS

IR

Vibrations