Geometry & MOs

Info

ID:	194306
PubChem CID:	78513276
Reduced:	BrN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	411.215806
ΔH_f, kcal/mol:	-95.08
Dipole, Da:	3.9
IP(EA), eV:	-8.91(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(3-phenylpropylamino)ethyl] 3-methyl-2-(phenylcarbamoylamino)butanoate

Drug info:

PubChemData

Smile

CC(C)C(C(=O)OCC1=CC=C(C=C1)Br)NC(=O)NC2=CC=CC=C2

DOS

IR

Vibrations