Geometry & MOs

Info

ID:

409201

PubChem CID:

135081980

Reduced:

NOSC2H2 (1)

Stoich.:

ABCD2E2 (1)

Weight, g/mol:

87.98571

ΔHf, kcal/mol:

38.88

Dipole, Da:

3.34

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.795402

Charge, e:

 1

Chem-info

IUPAC name:

1,4,2-oxathiazol-1-ium

Drug info:

PubChemData

Smile

C1=CSN=[O+]1

DOS

IR

Vibrations