Geometry & MOs

Info

ID:	301197
PubChem CID:	123069128
Reduced:	NO6C33H37 (1)
Stoich.:	AB6C33D37 (1)
Weight, g/mol:	515.230788
ΔH_f, kcal/mol:	-176.08
Dipole, Da:	7.33
IP(EA), eV:	-8.49(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(4-butoxy-3-ethoxyphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]-1-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C(=O)N2C4=CC=CC(=C4C)C)OCC

DOS

IR

Vibrations