Geometry & MOs

Info

ID:	301149
PubChem CID:	123060255
Reduced:	NO7C31H31 (1)
Stoich.:	AB7C31D31 (1)
Weight, g/mol:	505.165601
ΔH_f, kcal/mol:	-206.2
Dipole, Da:	8.21
IP(EA), eV:	-8.97(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(5-chloro-2-methylphenyl)-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=CC(=C3)C(=O)OCC)C4=CC(=CC=C4)OCC)/O

DOS

IR

Vibrations