Geometry & MOs

Info

ID:	371486
PubChem CID:	127346580
Reduced:	NS2O3C12H17 (1)
Stoich.:	AB2C3D12E17 (1)
Weight, g/mol:	247.124215
ΔH_f, kcal/mol:	-124.17
Dipole, Da:	6.68
IP(EA), eV:	-9.34(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-dimethyl-1-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1C(=O)C2=CC(=C(S2)C)C

DOS

IR

Vibrations