Geometry & MOs

Info

ID:	121584
PubChem CID:	50774075
Reduced:	FSO2N3C16H16 (1)
Stoich.:	ABC2D3E16F16 (1)
Weight, g/mol:	409.063634
ΔH_f, kcal/mol:	-84.41
Dipole, Da:	3.71
IP(EA), eV:	-8.57(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-chlorophenyl)-1-[(4-chlorophenyl)methyl]-4-hydroxy-3-phenyl-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CN1C=NC2=C(C1=O)SC3=CC=CC(=C32)F

DOS

IR

Vibrations