Geometry & MOs

Info

ID:	135438
PubChem CID:	51870499
Reduced:	Cl2N2O3H16C17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	406.144806
ΔH_f, kcal/mol:	-92.44
Dipole, Da:	5.44
IP(EA), eV:	-8.97(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)C(=O)C2=COC=C2)C(=O)NC3=C(C(=CC=C3)Cl)Cl

DOS

IR

Vibrations