Geometry & MOs

Info

ID:	339024
PubChem CID:	127260035
Reduced:	BrS2O4H19C21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	308.035459
ΔH_f, kcal/mol:	-91.14
Dipole, Da:	7.67
IP(EA), eV:	-8.26(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-hydroxy-2-oxo-2-phenylethoxy)benzenesulfonic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)SC2=C(C=C(C=C2)Br)OS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations