Geometry & MOs

Info

ID:	339004
PubChem CID:	127260015
Reduced:	SO6C16H18 (1)
Stoich.:	AB6C16D18 (1)
Weight, g/mol:	355.97179
ΔH_f, kcal/mol:	-183.48
Dipole, Da:	5.15
IP(EA), eV:	-8.09(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromo-4-methoxyphenyl)methyl benzenesulfonate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1COS(=O)(=O)C2=CC=CC=C2)OC)OC

DOS

IR

Vibrations