Geometry & MOs

Info

ID:	267448
PubChem CID:	103582253
Reduced:	BrClON2C10H10 (1)
Stoich.:	ABCD2E10F10 (1)
Weight, g/mol:	294.90694
ΔH_f, kcal/mol:	-8.16
Dipole, Da:	3.98
IP(EA), eV:	-9.16(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(=O)CN(C1)C2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations