Geometry & MOs

Info

ID:	301144
PubChem CID:	123060244
Reduced:	ClNO6H28C29 (1)
Stoich.:	ABC6D28E29 (1)
Weight, g/mol:	509.140529
ΔH_f, kcal/mol:	-161.06
Dipole, Da:	8.95
IP(EA), eV:	-8.33(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-1-(3-chloro-4-fluorophenyl)-5-(3-ethoxyphenyl)-4-[hydroxy-(3-propoxyphenyl)methylidene]pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCCOC1=CC=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)C3=CC(=C(C=C3)OC)Cl)C4=CC(=CC=C4)OCC)/O

DOS

IR

Vibrations