Geometry & MOs

Info

ID:	265073
PubChem CID:	103509258
Reduced:	N2S2O5C11H16 (1)
Stoich.:	A2B2C5D11E16 (1)
Weight, g/mol:	349.022469
ΔH_f, kcal/mol:	-186.52
Dipole, Da:	5.32
IP(EA), eV:	-8.67(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-(1,1-dioxo-1,4-thiazinan-4-yl)-4-ethylsulfonylthiophene-2-carbonitrile

Drug info:

PubChemData

Smile

COC1=C(SC(=C1N)C(=O)OC)N2CCS(=O)(=O)CC2

DOS

IR

Vibrations