Geometry & MOs

Info

ID:	301169
PubChem CID:	123067431
Reduced:	ClNO6H22C27 (1)
Stoich.:	ABC6D22E27 (1)
Weight, g/mol:	493.129215
ΔH_f, kcal/mol:	-143.88
Dipole, Da:	9.78
IP(EA), eV:	-8.3(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC4=C(C=C3)OCCO4)C5=CC=C(C=C5)Cl)/O

DOS

IR

Vibrations