Geometry & MOs

Info

ID:	158574
PubChem CID:	56464206
Reduced:	ClSN3O4C19H20 (1)
Stoich.:	ABC3D4E19F20 (1)
Weight, g/mol:	443.05144
ΔH_f, kcal/mol:	-135.62
Dipole, Da:	12.36
IP(EA), eV:	-8.6(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-3-oxopropyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCC(=O)NC2=CC(=CC=C2)S(=O)(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations