Geometry & MOs

Info

ID:	271577
PubChem CID:	103684382
Reduced:	ClSN2O2C11H15 (1)
Stoich.:	ABC2D2E11F15 (1)
Weight, g/mol:	188.061949
ΔH_f, kcal/mol:	-66.09
Dipole, Da:	6.49
IP(EA), eV:	-9.69(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)acetonitrile

Drug info:

PubChemData

Smile

CC1CS(=O)(=O)CCN1CC2=C(N=CC=C2)Cl

DOS

IR

Vibrations