Geometry & MOs

Info

ID:	301205
PubChem CID:	123069161
Reduced:	NO7H27C29 (1)
Stoich.:	AB7C27D29 (1)
Weight, g/mol:	515.194402
ΔH_f, kcal/mol:	-196.1
Dipole, Da:	6.0
IP(EA), eV:	-9.0(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 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=CC(=C4)C(=O)OC

DOS

IR

Vibrations