Geometry & MOs

Info

ID:	267449
PubChem CID:	103582254
Reduced:	BrClNSO2H7C8 (1)
Stoich.:	ABCDE2F7G8 (1)
Weight, g/mol:	294.90694
ΔH_f, kcal/mol:	-59.04
Dipole, Da:	4.41
IP(EA), eV:	-9.21(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations