Geometry & MOs

Info

ID:	228203
PubChem CID:	87563658
Reduced:	FN3O3H18C19 (1)
Stoich.:	AB3C3D18E19 (1)
Weight, g/mol:	189.009579
ΔH_f, kcal/mol:	-54.62
Dipole, Da:	5.48
IP(EA), eV:	-8.36(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(hydroxymethyl)pyridine-2-sulfonic acid

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)NC2=C(C(=O)C2=O)NC3=C(N=CC(=C3)F)OC

DOS

IR

Vibrations