Geometry & MOs

Info

ID:	144703
PubChem CID:	53400616
Reduced:	ClF2N2C6H7 (1)
Stoich.:	AB2C2D6E7 (1)
Weight, g/mol:	282.048616
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	3.68
IP(EA), eV:	-9.72(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4,5-dichloro-2-octyl-1,2-thiazol-2-ium 1-oxide

Drug info:

PubChemData

Smile

C1=CC(=CC=C1N(N)F)F.Cl

DOS

IR

Vibrations