Geometry & MOs

Info

ID:	301003
PubChem CID:	123059067
Reduced:	ClNO6H24C27 (1)
Stoich.:	ABC6D24E27 (1)
Weight, g/mol:	509.12413
ΔH_f, kcal/mol:	-161.08
Dipole, Da:	8.36
IP(EA), eV:	-8.64(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC=CC(=C3)C)C4=CC(=C(C(=C4)Cl)O)OC)/O

DOS

IR

Vibrations