Geometry & MOs

Info

ID:	338986
PubChem CID:	127259997
Reduced:	BrClSO3C13H14 (1)
Stoich.:	ABCD3E13F14 (1)
Weight, g/mol:	362.95648
ΔH_f, kcal/mol:	-109.95
Dipole, Da:	6.5
IP(EA), eV:	-10.35(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromoquinolin-8-yl) benzenesulfonate

Drug info:

PubChemData

Smile

C1C2CC(C1Cl)(CC2OS(=O)(=O)C3=CC=CC=C3)Br

DOS

IR

Vibrations