Geometry & MOs

Info

ID:	338945
PubChem CID:	127259956
Reduced:	SBr3O3H9C13 (1)
Stoich.:	AB3C3D9E13 (1)
Weight, g/mol:	421.86461
ΔH_f, kcal/mol:	-64.3
Dipole, Da:	6.83
IP(EA), eV:	-9.3(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=C(C=C(C(=C2)Br)CBr)Br

DOS

IR

Vibrations