Geometry & MOs

Info

ID:	280644
PubChem CID:	103850451
Reduced:	N2S2O3C7H14 (1)
Stoich.:	A2B2C3D7E14 (1)
Weight, g/mol:	252.023849
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	9.75
IP(EA), eV:	-9.21(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNS(=O)(=O)CC#N)(CSC)O

DOS

IR

Vibrations