Geometry & MOs

Info

ID:	78523
PubChem CID:	49693476
Reduced:	SN2O4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	264.093249
ΔH_f, kcal/mol:	-149.48
Dipole, Da:	5.39
IP(EA), eV:	-9.7(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(4-methylsulfanylbenzoyl)piperazin-2-one

Drug info:

PubChemData

Smile

CCS(=O)(=O)C1=CC=CC=C1C(=O)N2CCNC(=O)C2C

DOS

IR

Vibrations