Geometry & MOs

Info

ID:	301167
PubChem CID:	123067429
Reduced:	ClN2O4C29H29 (1)
Stoich.:	AB2C4D29E29 (1)
Weight, g/mol:	489.170686
ΔH_f, kcal/mol:	-85.51
Dipole, Da:	5.67
IP(EA), eV:	-7.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(4-tert-butylphenyl)-5-(4-chlorophenyl)-4-[(4-ethoxyphenyl)-hydroxymethylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)OCC)\O)/C(=O)C2=O)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations