Geometry & MOs

Info

ID:	267555
PubChem CID:	103582706
Reduced:	BrClNSO2C8H9 (1)
Stoich.:	ABCDE2F8G9 (1)
Weight, g/mol:	328.92768
ΔH_f, kcal/mol:	-65.25
Dipole, Da:	2.79
IP(EA), eV:	-9.21(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(5-bromo-3-chloropyridin-2-yl)sulfanylphenyl]methanol

Drug info:

PubChemData

Smile

C1=C(C=NC(=C1Cl)SCC(CO)O)Br

DOS

IR

Vibrations