Geometry & MOs

Info

ID:	120758
PubChem CID:	50743701
Reduced:	BrClNO2H17C23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	379.077535
ΔH_f, kcal/mol:	6.76
Dipole, Da:	2.08
IP(EA), eV:	-9.31(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-(4-fluorophenyl)-4-hydroxy-3-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(C(=C(C2=O)O)C3=CC=C(C=C3)Cl)C4=CC(=CC=C4)Br

DOS

IR

Vibrations