Geometry & MOs

Info

ID:	284728
PubChem CID:	104065174
Reduced:	BrClSO2H8C10 (1)
Stoich.:	ABCD2E8F10 (1)
Weight, g/mol:	338.95648
ΔH_f, kcal/mol:	-48.89
Dipole, Da:	6.03
IP(EA), eV:	-9.15(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-5-(2-methoxypyridin-4-yl)sulfanylbenzoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1SC/C=C/Cl)C(=O)O)Br

DOS

IR

Vibrations