Geometry & MOs

Info

ID:	301151
PubChem CID:	123060266
Reduced:	NO6C31H33 (1)
Stoich.:	AB6C31D33 (1)
Weight, g/mol:	535.09944
ΔH_f, kcal/mol:	-167.84
Dipole, Da:	8.11
IP(EA), eV:	-8.2(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C/2\C(N(C(=O)C2=O)C3=CC=C(C=C3)OC(C)C)C4=CC(=CC=C4)OCC)/O

DOS

IR

Vibrations