Geometry & MOs

Info

ID:	301142
PubChem CID:	123060219
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	517.210052
ΔH_f, kcal/mol:	-163.6
Dipole, Da:	7.27
IP(EA), eV:	-8.38(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,4-dimethoxyphenyl)-5-(3-ethoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OCCC)/O)/C(=O)C(=O)N2C4=CC=CC=C4)OCC

DOS

IR

Vibrations