Geometry & MOs

Info

ID:	262356
PubChem CID:	103288110
Reduced:	SCl2O2C10H12 (1)
Stoich.:	AB2C2D10E12 (1)
Weight, g/mol:	279.012077
ΔH_f, kcal/mol:	-89.91
Dipole, Da:	3.18
IP(EA), eV:	-9.57(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-chlorophenyl)methylsulfanyl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CS(=O)(=O)CCCCl)Cl

DOS

IR

Vibrations