Geometry & MOs

Info

ID:	36953
PubChem CID:	8015295
Reduced:	NO5C20H21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	329.126323
ΔH_f, kcal/mol:	-163.62
Dipole, Da:	4.73
IP(EA), eV:	-8.85(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-methoxyanilino)-2-oxo-1-phenylethyl] 2-methoxyacetate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)OCC(=O)N[C@@H](C)C2=CC3=C(C=C2)OCO3

DOS

IR

Vibrations