Geometry & MOs

Info

ID:

301020

PubChem CID:

123059429

Reduced:

NO7C31H31 (1)

Stoich.:

AB7C31D31 (1)

Weight, g/mol:

529.210052

ΔHf, kcal/mol:

-206.28

Dipole, Da:

10.04

IP(EA), eV:

 -9.1(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3-[(3E)-2-(3-ethoxyphenyl)-3-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]-4,5-dioxopyrrolidin-1-yl]benzoate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=CC(=CC=C3)OCC(C)C)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations