Geometry & MOs

Info

ID:	267450
PubChem CID:	103582255
Reduced:	BrClNSO2H7C8 (1)
Stoich.:	ABCDE2F7G8 (1)
Weight, g/mol:	280.89129
ΔH_f, kcal/mol:	-59.6
Dipole, Da:	5.32
IP(EA), eV:	-9.48(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)O)SC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations