Geometry & MOs

Info

ID:	303538
PubChem CID:	124489875
Reduced:	BrN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-130.49
Dipole, Da:	6.04
IP(EA), eV:	-9.06(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(2-amino-5-bromobenzoyl)amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations