Geometry & MOs

Info

ID:	121585
PubChem CID:	50774157
Reduced:	NCl2O2H17C23 (1)
Stoich.:	AB2C2D17E23 (1)
Weight, g/mol:	433.168936
ΔH_f, kcal/mol:	-7.79
Dipole, Da:	3.78
IP(EA), eV:	-8.95(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2,4-dimethoxyphenyl)methyl]-2-(2-fluorophenyl)-4-hydroxy-3-(4-methylphenyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C(C(=O)N(C2C3=CC=CC=C3Cl)CC4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations