Geometry & MOs

Info

ID:	444067
PubChem CID:	135261209
Reduced:	PSO3C4H4F9 (1)
Stoich.:	ABC3D4E4F9 (1)
Weight, g/mol:	218.04582
ΔH_f, kcal/mol:	-560.77
Dipole, Da:	11.12
IP(EA), eV:	-10.95(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(5-hydroxypyridin-2-yl)propanoic acid;hydrochloride

Drug info:

PubChemData

Smile

C(C(C(F)(F)S(=O)(=O)[O-])(F)F)(C(F)(F)F)(F)F.[PH4+]

DOS

IR

Vibrations