Geometry & MOs

Info

ID:	232480
PubChem CID:	87576287
Reduced:	TeN2H6C12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	429.055244
ΔH_f, kcal/mol:	123.98
Dipole, Da:	5.36
IP(EA), eV:	-8.62(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(ethylsulfonylamino)-5-fluoro-4-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazolidin-3-yl]benzenecarbothioamide

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)C=C(C#N)C#N)[Te]C=C2

DOS

IR

Vibrations