Geometry & MOs

Info

ID:	300931
PubChem CID:	123055420
Reduced:	NCl2O4H27C29 (1)
Stoich.:	AB2C4D27E29 (1)
Weight, g/mol:	495.100414
ΔH_f, kcal/mol:	-101.73
Dipole, Da:	3.63
IP(EA), eV:	-8.66(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-5-(3,4-dichlorophenyl)-1-(4-ethylphenyl)-4-[hydroxy-(2-methoxy-5-methylphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)N2C(/C(=C(/C3=C(C=CC(=C3)C)OC)\O)/C(=O)C2=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations