Geometry & MOs

Info

ID:	301070
PubChem CID:	123059722
Reduced:	ClNO6C30H30 (1)
Stoich.:	ABC6D30E30 (1)
Weight, g/mol:	531.225702
ΔH_f, kcal/mol:	-174.76
Dipole, Da:	11.0
IP(EA), eV:	-8.52(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-5-(3,4-diethoxyphenyl)-4-[hydroxy-(3-propan-2-yloxyphenyl)methylidene]-1-(2-methoxyphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C2/C(=C(\C3=CC(=CC=C3)OC(C)C)/O)/C(=O)C(=O)N2C4=CC(=CC=C4)Cl)OCC

DOS

IR

Vibrations