Geometry & MOs

Info

ID:	339052
PubChem CID:	127260063
Reduced:	BrSCl2O3H7C12 (1)
Stoich.:	ABC2D3E7F12 (1)
Weight, g/mol:	312.94083
ΔH_f, kcal/mol:	-77.79
Dipole, Da:	6.91
IP(EA), eV:	-9.19(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromopyridin-2-yl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OC2=CC(=C(C=C2Cl)Br)Cl

DOS

IR

Vibrations