Geometry & MOs

Info

ID:	301146
PubChem CID:	123060250
Reduced:	NO7C32H33 (1)
Stoich.:	AB7C32D33 (1)
Weight, g/mol:	515.194402
ΔH_f, kcal/mol:	-214.02
Dipole, Da:	8.27
IP(EA), eV:	-8.64(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)CC(=O)OCC)C4=CC(=CC=C4)OCC)/O

DOS

IR

Vibrations