Geometry & MOs

Info

ID:	303543
PubChem CID:	124489881
Reduced:	BrN2O3H15C16 (1)
Stoich.:	AB2C3D15E16 (1)
Weight, g/mol:	362.0266
ΔH_f, kcal/mol:	-89.3
Dipole, Da:	4.27
IP(EA), eV:	-8.98(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(2-amino-5-bromobenzoyl)amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)Br)N

DOS

IR

Vibrations