Geometry & MOs

Info

ID:	267554
PubChem CID:	103582705
Reduced:	BrClNOSC8H9 (1)
Stoich.:	ABCDEF8G9 (1)
Weight, g/mol:	296.92259
ΔH_f, kcal/mol:	-22.35
Dipole, Da:	1.65
IP(EA), eV:	-8.95(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-bromo-3-chloropyridin-2-yl)sulfanylpropane-1,2-diol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations