Geometry & MOs

Info

ID:	338991
PubChem CID:	127260002
Reduced:	BrClSO3H10C13 (1)
Stoich.:	ABCD3E10F13 (1)
Weight, g/mol:	319.006992
ΔH_f, kcal/mol:	-74.18
Dipole, Da:	4.25
IP(EA), eV:	-9.57(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-chloroquinolin-8-yl) benzenesulfonate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)OCC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations