Geometry & MOs

Info

ID:	158698
PubChem CID:	56465098
Reduced:	FSO2N4C21H27 (1)
Stoich.:	ABC2D4E21F27 (1)
Weight, g/mol:	433.062983
ΔH_f, kcal/mol:	-104.27
Dipole, Da:	2.53
IP(EA), eV:	-8.97(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)CC(=O)NC3=CC=C(C=C3)F

DOS

IR

Vibrations