Geometry & MOs

Info

ID:	34190
PubChem CID:	7890238
Reduced:	BrN3O4H12C14 (1)
Stoich.:	AB3C4D12E14 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	-49.95
Dipole, Da:	5.04
IP(EA), eV:	-9.13(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(2R)-4-phenylbutan-2-yl]amino]propan-2-yl] 3-hydroxybenzoate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CN2C=C(C=CC2=O)[N+](=O)[O-]

DOS

IR

Vibrations