Geometry & MOs

Info

ID:	412501
PubChem CID:	135085396
Reduced:	NaS2F3O3H4C7 (1)
Stoich.:	AB2C3D3E4F7 (1)
Weight, g/mol:	257.963221
ΔH_f, kcal/mol:	-322.75
Dipole, Da:	7.38
IP(EA), eV:	-9.39(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-sulfosulfanyl-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(F)(F)F)SS(=O)(=O)[O-].[Na+]

DOS

IR

Vibrations