Geometry & MOs

Info

ID:	78530
PubChem CID:	49693488
Reduced:	SN2O5C15H20 (1)
Stoich.:	AB2C5D15E20 (1)
Weight, g/mol:	324.114378
ΔH_f, kcal/mol:	-191.12
Dipole, Da:	7.67
IP(EA), eV:	-9.72(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-ethylsulfonylphenyl)acetyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)CCS(=O)(=O)C2=CC=C(C=C2)OC

DOS

IR

Vibrations