Geometry & MOs

Info

ID:	373344
PubChem CID:	131313528
Reduced:	BrSO3H9C11 (1)
Stoich.:	ABC3D9E11 (1)
Weight, g/mol:	244.991342
ΔH_f, kcal/mol:	-84.28
Dipole, Da:	3.58
IP(EA), eV:	-8.92(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxo-3,4-dihydro-2H-isoquinoline-8-sulfonyl chloride

Drug info:

PubChemData

Smile

COC1=CC2=C(S1)C(=C(C=C2)CC(=O)O)Br

DOS

IR

Vibrations