Geometry & MOs

Info

ID:	6214
PubChem CID:	67532
Reduced:	NBr2O3C9H9 (1)
Stoich.:	AB2C3D9E9 (1)
Weight, g/mol:	338.89287
ΔH_f, kcal/mol:	-106.46
Dipole, Da:	3.81
IP(EA), eV:	-9.6(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1Br)O)Br)C[C@@H](C(=O)O)N

DOS

IR

Vibrations