Geometry & MOs

Info

ID:	300939
PubChem CID:	123055431
Reduced:	NCl2O5H21C26 (1)
Stoich.:	AB2C5D21E26 (1)
Weight, g/mol:	495.100414
ΔH_f, kcal/mol:	-119.49
Dipole, Da:	6.68
IP(EA), eV:	-8.27(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)/C(=C\2/C(N(C(=O)C2=O)C3=CC=C(C=C3)OC)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations