Geometry & MOs

Info

ID:	301204
PubChem CID:	123069141
Reduced:	N2O5C32H34 (1)
Stoich.:	A2B5C32D34 (1)
Weight, g/mol:	501.178752
ΔH_f, kcal/mol:	-121.84
Dipole, Da:	8.69
IP(EA), eV:	-8.18(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=C(C=C4)N5CCCCC5

DOS

IR

Vibrations