Geometry & MOs

Info

ID:	338891
PubChem CID:	127259902
Reduced:	BrSO3H11C13 (1)
Stoich.:	ABC3D11E13 (1)
Weight, g/mol:	280.056944
ΔH_f, kcal/mol:	-66.25
Dipole, Da:	4.47
IP(EA), eV:	-9.67(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-fluoro-4-methylbenzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COS(=O)(=O)C2=CC(=CC=C2)Br

DOS

IR

Vibrations