Geometry & MOs

Info

ID:	267552
PubChem CID:	103582702
Reduced:	BrClNOSC7H7 (1)
Stoich.:	ABCDEF7G7 (1)
Weight, g/mol:	294.94333
ΔH_f, kcal/mol:	-18.44
Dipole, Da:	2.1
IP(EA), eV:	-9.09(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)SCCO)Br

DOS

IR

Vibrations