Geometry & MOs

Info

ID:	120757
PubChem CID:	50743700
Reduced:	ClFNO2H17C23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	453.01312
ΔH_f, kcal/mol:	-42.18
Dipole, Da:	3.27
IP(EA), eV:	-9.24(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-2-(3-bromophenyl)-3-(4-chlorophenyl)-4-hydroxy-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=C4F

DOS

IR

Vibrations