Geometry & MOs

Info

ID:	338944
PubChem CID:	127259955
Reduced:	SO3C15H24 (1)
Stoich.:	AB3C15D24 (1)
Weight, g/mol:	483.7802
ΔH_f, kcal/mol:	-140.06
Dipole, Da:	4.44
IP(EA), eV:	-10.32(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,5-dibromo-4-(bromomethyl)phenyl] benzenesulfonate

Drug info:

PubChemData

Smile

CCCC(C)CC(C)COS(=O)(=O)C1=CC=CC=C1

DOS

IR

Vibrations