Geometry & MOs

Info

ID:	14559
PubChem CID:	414673
Reduced:	SO2H4C6 (2)
Stoich.:	AB2C4D6 (2)
Weight, g/mol:	279.986401
ΔH_f, kcal/mol:	-105.33
Dipole, Da:	5.98
IP(EA), eV:	-8.59(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenoxathiine-2-sulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)OC3=C(S2)C=C(C=C3)S(=O)(=O)O

DOS

IR

Vibrations