Geometry & MOs

Info

ID:	300582
PubChem CID:	123043961
Reduced:	ClNO7H20C26 (1)
Stoich.:	ABC7D20E26 (1)
Weight, g/mol:	461.147452
ΔH_f, kcal/mol:	-195.09
Dipole, Da:	8.09
IP(EA), eV:	-8.85(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3,5-dimethoxyphenyl)-5-(3-hydroxy-4-methoxyphenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CC(=O)OC1=C(C=CC(=C1)C2/C(=C(\C3=CC=CC=C3)/O)/C(=O)C(=O)N2C4=C(C=CC(=C4)Cl)O)OC

DOS

IR

Vibrations