Geometry & MOs

Info

ID:	340948
PubChem CID:	127263383
Reduced:	NO4C30H39 (1)
Stoich.:	AB4C30D39 (1)
Weight, g/mol:	292.98182
ΔH_f, kcal/mol:	-154.63
Dipole, Da:	5.84
IP(EA), eV:	-9.62(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2S)-2-amino-3-(2-bromophenyl)propanoate;hydrochloride

Drug info:

PubChemData

Smile

C[C@]1(C(=O)O[C@H]([C@H](N1C(=O)OC(C)(C)C)C2=CC=CC=C2)C3=CC=CC=C3)CCCCCCC=C

DOS

IR

Vibrations