Geometry & MOs

Info

ID:	341932
PubChem CID:	127264625
Reduced:	BrCl2N2O2C8H11 (1)
Stoich.:	AB2C2D2E8F11 (1)
Weight, g/mol:	235.041149
ΔH_f, kcal/mol:	-134.97
Dipole, Da:	2.39
IP(EA), eV:	-10.24(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-amino-2-(5-fluoro-2-hydroxyphenyl)acetate;hydrochloride

Drug info:

PubChemData

Smile

C1=CC(=NC=C1Br)C[C@@H](C(=O)O)N.Cl.Cl

DOS

IR

Vibrations