Geometry & MOs

Info

ID:	412500
PubChem CID:	135085395
Reduced:	ISN2O2H9C11 (1)
Stoich.:	ABC2D2E9F11 (1)
Weight, g/mol:	279.945165
ΔH_f, kcal/mol:	1.21
Dipole, Da:	6.07
IP(EA), eV:	-8.82(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

sodium;1-sulfonatosulfanyl-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

C1=CC=NC(=C1)S(=O)(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations