Geometry & MOs

Info

ID:	388651
PubChem CID:	134989748
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	228.912687
ΔH_f, kcal/mol:	-20.42
Dipole, Da:	3.76
IP(EA), eV:	-8.16(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-methyl-1,3,2-benzodithiarsol-3-ium

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(N=C(N12)C(C)C)C(C)C)OC

DOS

IR

Vibrations