Geometry & MOs

Info

ID:	35885
PubChem CID:	7980446
Reduced:	NO3C19H21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-95.68
Dipole, Da:	1.74
IP(EA), eV:	-9.54(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](CC(=O)NCC(=O)OCC1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations