Geometry & MOs

Info

ID:

80127

PubChem CID:

49833148

Reduced:

N3O5C36H43 (1)

Stoich.:

A3B5C36D43 (1)

Weight, g/mol:

601.270735

ΔHf, kcal/mol:

-154.97

Dipole, Da:

6.79

IP(EA), eV:

 -8.94(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[(4-butyl-2-methyl-6-oxo-1-pyridin-2-ylpyrimidin-5-yl)methyl]-2,6-dipropylphenoxy]-2-(2-chlorophenyl)acetic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N(C(=N1)C)C2=NC=C(C=C2)OC)CC3=CC(=C(C(=C3)CCC)OC(C4=CC=CC=C4)C(=O)O)CCC

DOS

IR

Vibrations