Geometry & MOs

Info

ID:	35694
PubChem CID:	7980212
Reduced:	NO5H21C24 (1)
Stoich.:	AB5C21D24 (1)
Weight, g/mol:	403.141973
ΔH_f, kcal/mol:	-122.62
Dipole, Da:	4.99
IP(EA), eV:	-9.11(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3-acetylanilino)-2-oxo-1-phenylethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC(=CC=C1)NC(=O)[C@@H](C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations