Geometry & MOs

Info

ID:	303532
PubChem CID:	124489868
Reduced:	BrN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	314.0266
ΔH_f, kcal/mol:	-111.2
Dipole, Da:	6.89
IP(EA), eV:	-9.09(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-amino-5-bromobenzoyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

C1C[C@H](N(C1)C(=O)C2=C(C=CC(=C2)Br)N)C(=O)O

DOS

IR

Vibrations