Geometry & MOs

Info

ID:	369976
PubChem CID:	127337027
Reduced:	SO2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	315.161663
ΔH_f, kcal/mol:	-30.75
Dipole, Da:	3.82
IP(EA), eV:	-8.33(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-acetylpiperazin-1-yl)-2-(2,3-dimethyl-1-oxo-1,4-thiazinan-4-yl)ethanone

Drug info:

PubChemData

Smile

CCCC1=NOC(=N1)CN2CCS(=O)C(C2C)C

DOS

IR

Vibrations