Geometry & MOs

Info

ID:	301017
PubChem CID:	123059392
Reduced:	NO6C33H37 (1)
Stoich.:	AB6C33D37 (1)
Weight, g/mol:	527.267173
ΔH_f, kcal/mol:	-185.23
Dipole, Da:	7.11
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-1-(4-butylphenyl)-5-(3-ethoxyphenyl)-4-[hydroxy-[3-(2-methylpropoxy)phenyl]methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations