Geometry & MOs

Info

ID:

80161

PubChem CID:

49833308

Reduced:

N2O5C39H48 (1)

Stoich.:

A2B5C39D48 (1)

Weight, g/mol:

612.331171

ΔHf, kcal/mol:

-185.54

Dipole, Da:

8.41

IP(EA), eV:

 -9.01(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[[4-butyl-1-(5-ethoxypyrimidin-2-yl)-2-methyl-6-oxopyrimidin-5-yl]methyl]-2,6-dipropylphenoxy]-2-phenylacetic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations