Geometry & MOs

Info

ID:	338984
PubChem CID:	127259995
Reduced:	BrSO4H15C20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	353.95614
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	5.52
IP(EA), eV:	-9.73(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-bromophenyl)-2-oxoethyl] benzenesulfonate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations