Geometry & MOs

Info

ID:	262396
PubChem CID:	103290637
Reduced:	ClSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	293.027728
ΔH_f, kcal/mol:	-122.24
Dipole, Da:	5.0
IP(EA), eV:	-8.78(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfanylmethyl]pyridine-2-carboxylic acid

Drug info:

PubChemData

Smile

CCOC(CSCC1=CC=CC=C1Cl)C(=O)O

DOS

IR

Vibrations