Geometry & MOs

Info

ID:	301065
PubChem CID:	123059713
Reduced:	NO6C32H35 (1)
Stoich.:	AB6C32D35 (1)
Weight, g/mol:	531.225702
ΔH_f, kcal/mol:	-187.1
Dipole, Da:	9.21
IP(EA), eV:	-8.7(-0.99)
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-(4-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)C)C)OCC

DOS

IR

Vibrations