Geometry & MOs

Info

ID:	9645
PubChem CID:	91841
Reduced:	NSO3C9H13 (1)
Stoich.:	ABC3D9E13 (1)
Weight, g/mol:	215.061614
ΔH_f, kcal/mol:	-84.94
Dipole, Da:	16.39
IP(EA), eV:	-9.69(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-methylpyridin-1-ium-1-yl)propane-1-sulfonate

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1CCCS(=O)(=O)[O-]

DOS

IR

Vibrations