Geometry & MOs

Info

ID:	27194
PubChem CID:	819283
Reduced:	O3H14C18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	170.027575
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	5.05
IP(EA), eV:	-9.1(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-methyl-5-sulfanylpyridin-1-ium-2-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@@H](C(=O)O)OC2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations