Geometry & MOs

Info

ID:	341996
PubChem CID:	127264689
Reduced:	ClNOSC6H10 (1)
Stoich.:	ABCDE6F10 (1)
Weight, g/mol:	243.993696
ΔH_f, kcal/mol:	-54.44
Dipole, Da:	4.18
IP(EA), eV:	-9.32(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-2-(6-chloropyridin-3-yl)ethanol;dihydrochloride

Drug info:

PubChemData

Smile

C1=CSC(=C1)C(CO)N.Cl

DOS

IR

Vibrations