Geometry & MOs

Info

ID:	232226
PubChem CID:	87575750
Reduced:	NTeH5C9 (1)
Stoich.:	ABC5D9 (1)
Weight, g/mol:	394.984206
ΔH_f, kcal/mol:	75.01
Dipole, Da:	3.49
IP(EA), eV:	-8.57(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-[[2-nitro-6-(trifluoromethyl)phenyl]methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=C[Te]2)C=C1C#N

DOS

IR

Vibrations