Geometry & MOs

Info

ID:	338949
PubChem CID:	127259960
Reduced:	SBr2O3H10C13 (1)
Stoich.:	AB2C3D10E13 (1)
Weight, g/mol:	335.918148
ΔH_f, kcal/mol:	-69.8
Dipole, Da:	4.56
IP(EA), eV:	-9.17(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4,5-trichlorophenyl) benzenesulfonate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)OS(=O)(=O)C2=CC=CC=C2)Br

DOS

IR

Vibrations