Geometry & MOs

Info

ID:	158893
PubChem CID:	57244153
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	192.011925
ΔH_f, kcal/mol:	-128.3
Dipole, Da:	9.29
IP(EA), eV:	-8.44(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

isoquinoline-8-sulfinate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC=C(C=C1)OCCCC2=CC=C(C=C2)S(=O)(=O)N

DOS

IR

Vibrations