Geometry & MOs

Info

ID:	78526
PubChem CID:	49693483
Reduced:	ClS2N3O4C14H18 (1)
Stoich.:	AB2C3D4E14F18 (1)
Weight, g/mol:	338.130028
ΔH_f, kcal/mol:	-137.09
Dipole, Da:	5.29
IP(EA), eV:	-9.59(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[4-(4-methylphenyl)sulfonylbutanoyl]piperazin-2-one

Drug info:

PubChemData

Smile

CC1C(=O)NCCN1C(=O)C2CCCN2S(=O)(=O)C3=CC=C(S3)Cl

DOS

IR

Vibrations