Geometry & MOs

Info

ID:	78529
PubChem CID:	49693487
Reduced:	SN2O5C16H22 (1)
Stoich.:	AB2C5D16E22 (1)
Weight, g/mol:	340.109293
ΔH_f, kcal/mol:	-199.21
Dipole, Da:	7.43
IP(EA), eV:	-9.6(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(4-methoxyphenyl)sulfonylpropanoyl]-3-methylpiperazin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations