Geometry & MOs

Info

ID:	338196
PubChem CID:	127258888
Reduced:	ClNO3F4C10H10 (1)
Stoich.:	ABC3D4E10F10 (1)
Weight, g/mol:	293.97707
ΔH_f, kcal/mol:	-346.94
Dipole, Da:	2.75
IP(EA), eV:	-10.02(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-3-(5-bromopyridin-2-yl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

COC(=O)[C@H](C1=CC(=C(C=C1)OC(F)(F)F)F)N.Cl

DOS

IR

Vibrations