Geometry & MOs

Info

ID:	284744
PubChem CID:	104067173
Reduced:	ClNSO3H12C15 (1)
Stoich.:	ABCD3E12F15 (1)
Weight, g/mol:	249.025978
ΔH_f, kcal/mol:	-72.68
Dipole, Da:	5.39
IP(EA), eV:	-9.25(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-5-pyridin-4-ylsulfanylbenzoic acid

Drug info:

PubChemData

Smile

CCC(=O)C1=NC=C(C=C1)SC2=CC(=C(C=C2)Cl)C(=O)O

DOS

IR

Vibrations