Geometry & MOs

Info

ID:	300992
PubChem CID:	123058918
Reduced:	ClNO6H28C29 (1)
Stoich.:	ABC6D28E29 (1)
Weight, g/mol:	545.241352
ΔH_f, kcal/mol:	-163.56
Dipole, Da:	6.97
IP(EA), eV:	-8.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[(3-ethoxyphenyl)-hydroxymethylidene]-5-(4-methoxy-3-propoxyphenyl)-1-(2-propoxyphenyl)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=CC=C(C=C4)Cl)OC

DOS

IR

Vibrations