Geometry & MOs

Info

ID:	267553
PubChem CID:	103582704
Reduced:	BrClNOSC9H11 (1)
Stoich.:	ABCDEF9G11 (1)
Weight, g/mol:	280.92768
ΔH_f, kcal/mol:	-30.85
Dipole, Da:	2.88
IP(EA), eV:	-8.92(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloropyridin-2-yl)sulfanylpropan-1-ol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations