Geometry & MOs

Info

ID:	78527
PubChem CID:	49693484
Reduced:	SN2O4C16H22 (1)
Stoich.:	AB2C4D16E22 (1)
Weight, g/mol:	342.104956
ΔH_f, kcal/mol:	-166.4
Dipole, Da:	1.96
IP(EA), eV:	-9.64(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-fluorophenyl)sulfonylbutanoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)CCCS(=O)(=O)C2=CC=C(C=C2)C

DOS

IR

Vibrations