Geometry & MOs

Info

ID:	358643
PubChem CID:	127296422
Reduced:	SN2O2C12H22 (1)
Stoich.:	AB2C2D12E22 (1)
Weight, g/mol:	399.128649
ΔH_f, kcal/mol:	-88.53
Dipole, Da:	5.3
IP(EA), eV:	-8.37(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-1-(1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CCN1CCCCC1C(=O)N2CCS(=O)CC2

DOS

IR

Vibrations