Geometry & MOs

Info

ID:	54503
PubChem CID:	17388787
Reduced:	NNaO4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	266.012806
ΔH_f, kcal/mol:	-238.82
Dipole, Da:	8.29
IP(EA), eV:	-7.96(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(pyridine-3-carbonylamino)ethanesulfonic acid;hydrochloride

Drug info:

PubChemData

Smile

CC1(CC2=C(C(C3=C(N2)CC(CC3=O)(C)C)C(=O)[O-])C(=O)C1)C.[Na+]

DOS

IR

Vibrations