Geometry & MOs

Info

ID:	303537
PubChem CID:	124489874
Reduced:	BrN2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	328.04226
ΔH_f, kcal/mol:	-81.12
Dipole, Da:	0.93
IP(EA), eV:	-8.92(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)CCO)C(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations