Geometry & MOs

Info

ID:

377762

PubChem CID:

134223827

Reduced:

SO2N3C5H8 (1)

Stoich.:

AB2C3D5E8 (1)

Weight, g/mol:

175.041548

ΔHf, kcal/mol:

-8.06

Dipole, Da:

4.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.765093

Charge, e:

 0

Chem-info

IUPAC name:

(2,5-dimethyltriazol-4-yl)methanesulfinic acid

Drug info:

PubChemData

Smile

CC1=NN(N=C1CS(=O)[O-])C

DOS

IR

Vibrations