Geometry & MOs

Info

ID:	267451
PubChem CID:	103582256
Reduced:	BrClNSO2H5C7 (1)
Stoich.:	ABCDE2F5G7 (1)
Weight, g/mol:	342.90694
ΔH_f, kcal/mol:	-55.3
Dipole, Da:	5.51
IP(EA), eV:	-9.42(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloropyridin-2-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)SCC(=O)O)Br

DOS

IR

Vibrations