Geometry & MOs

Info

ID:	14450
PubChem CID:	411841
Reduced:	BrSO3C7H7 (1)
Stoich.:	ABC3D7E7 (1)
Weight, g/mol:	249.92993
ΔH_f, kcal/mol:	-90.12
Dipole, Da:	4.1
IP(EA), eV:	-9.93(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bromo(phenyl)methanesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(S(=O)(=O)O)Br

DOS

IR

Vibrations