Geometry & MOs

Info

ID:

80160

PubChem CID:

49833305

Reduced:

ClO2N7C35H40 (1)

Stoich.:

AB2C7D35E40 (1)

Weight, g/mol:

624.356323

ΔHf, kcal/mol:

43.56

Dipole, Da:

1.95

IP(EA), eV:

 -8.87(-0.72)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-butyl-2-methyl-6-oxo-1-(4-propan-2-yloxyphenyl)pyrimidin-5-yl]methyl]-2,6-dipropylphenoxy]-2-phenylacetic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)N(C(=N1)C)C2=CC=CC=N2)CC3=CC(=C(C(=C3)CCC)OC(C4=CC=CC=C4Cl)C5=NNN=N5)CCC

DOS

IR

Vibrations