Geometry & MOs

Info

ID:	374566
PubChem CID:	131331598
Reduced:	BrNO3C10H12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	273.9953
ΔH_f, kcal/mol:	-117.27
Dipole, Da:	4.4
IP(EA), eV:	-9.72(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-3-amino-3-(2-amino-4-bromophenyl)-2-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)[C@@H]([C@@H](C(=O)O)O)N

DOS

IR

Vibrations