Geometry & MOs

Info

ID:	266591
PubChem CID:	103574008
Reduced:	SO5C11H16 (1)
Stoich.:	AB5C11D16 (1)
Weight, g/mol:	239.025229
ΔH_f, kcal/mol:	-202.48
Dipole, Da:	4.83
IP(EA), eV:	-8.77(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

hydroxy(isoquinolin-4-yl)methanesulfonic acid

Drug info:

PubChemData

Smile

CC(CCC1=CC=C(C=C1)OC)(O)S(=O)(=O)O

DOS

IR

Vibrations