Geometry & MOs

Info

ID:	35688
PubChem CID:	7980205
Reduced:	ClN2O6H13C16 (1)
Stoich.:	AB2C6D13E16 (1)
Weight, g/mol:	389.162708
ΔH_f, kcal/mol:	-125.62
Dipole, Da:	8.12
IP(EA), eV:	-9.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations