Geometry & MOs

Info

ID:	300997
PubChem CID:	123058981
Reduced:	NO7C32H35 (1)
Stoich.:	AB7C32D35 (1)
Weight, g/mol:	515.230788
ΔH_f, kcal/mol:	-208.22
Dipole, Da:	7.29
IP(EA), eV:	-8.65(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(4-butoxy-3-ethoxyphenyl)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-1-phenylpyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCC)/O)/C(=O)C(=O)N2C4=CC(=CC=C4)OC)OCC

DOS

IR

Vibrations