Geometry & MOs

Info

ID:	338890
PubChem CID:	127259901
Reduced:	BrSO3H13C14 (1)
Stoich.:	ABC3D13E14 (1)
Weight, g/mol:	325.96123
ΔH_f, kcal/mol:	-77.66
Dipole, Da:	5.2
IP(EA), eV:	-9.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 3-bromobenzenesulfonate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)OCC2=CC=CC=C2)Br

DOS

IR

Vibrations