Geometry & MOs

Info

ID:	338948
PubChem CID:	127259959
Reduced:	SBr2O4H10C13 (1)
Stoich.:	AB2C4D10E13 (1)
Weight, g/mol:	405.86969
ΔH_f, kcal/mol:	-96.96
Dipole, Da:	5.1
IP(EA), eV:	-8.86(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,5-dibromo-4-methylphenyl) benzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1Br)OS(=O)(=O)C2=CC=CC=C2)Br

DOS

IR

Vibrations