Geometry & MOs

Info

ID:	300930
PubChem CID:	123055419
Reduced:	NCl2O4H23C27 (1)
Stoich.:	AB2C4D23E27 (1)
Weight, g/mol:	523.131714
ΔH_f, kcal/mol:	-101.47
Dipole, Da:	6.08
IP(EA), eV:	-8.67(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-butylphenyl)-5-(3,4-dichlorophenyl)-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(=CC(=C3)C)C)C4=CC(=C(C=C4)Cl)Cl)/O

DOS

IR

Vibrations