Geometry & MOs

Info

ID:

409344

PubChem CID:

135082124

Reduced:

NC2H2O2 (1)

Stoich.:

AB2C2D2 (1)

Weight, g/mol:

86.990461

ΔHf, kcal/mol:

-11.38

Dipole, Da:

0.71

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.782129

Charge, e:

 1

Chem-info

IUPAC name:

oxathiol-1-ium

Drug info:

PubChemData

Smile

C1=NC=[O+]O1

DOS

IR

Vibrations