Geometry & MOs

Info

ID:

21846

PubChem CID:

592197

Reduced:

SN2O2C10H11 (1)

Stoich.:

AB2C2D10E11 (1)

Weight, g/mol:

223.054124

ΔHf, kcal/mol:

-15.68

Dipole, Da:

6.74

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.984163

Charge, e:

 1

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-4-methyl-3H-1,3,4-thiadiazol-4-ium-2-one

Drug info:

PubChemData

Smile

C[N+]1=C(SC(=O)N1)C2=CC=C(C=C2)OC

DOS

IR

Vibrations