Geometry & MOs

Info

ID:	401796
PubChem CID:	135052640
Reduced:	SeN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	432.999137
ΔH_f, kcal/mol:	37.17
Dipole, Da:	3.62
IP(EA), eV:	-8.44(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethyl-1,3-benzotellurazol-3-ium;4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)/C(=C/C=NC2=CC=C(C=C2)OC)/[Se]C#N

DOS

IR

Vibrations