Geometry & MOs

Info

ID:	267551
PubChem CID:	103582698
Reduced:	BrClFON2H9C12 (1)
Stoich.:	ABCDE2F9G12 (1)
Weight, g/mol:	266.91203
ΔH_f, kcal/mol:	-29.07
Dipole, Da:	5.64
IP(EA), eV:	-8.77(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5-bromo-3-chloropyridin-2-yl)sulfanylethanol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1N)F)OC2=C(C=C(C=N2)Br)Cl

DOS

IR

Vibrations