Geometry & MOs

Info

ID:	300994
PubChem CID:	123058928
Reduced:	ClNO7H28C29 (1)
Stoich.:	ABC7D28E29 (1)
Weight, g/mol:	543.262088
ΔH_f, kcal/mol:	-199.42
Dipole, Da:	7.78
IP(EA), eV:	-8.77(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(3-ethoxy-4-propoxyphenyl)-1-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations