Geometry & MOs

Info

ID:	35693
PubChem CID:	7980211
Reduced:	NCl2O4H15C17 (1)
Stoich.:	AB2C4D15E17 (1)
Weight, g/mol:	403.141973
ΔH_f, kcal/mol:	-135.11
Dipole, Da:	3.76
IP(EA), eV:	-9.15(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(C=C(C=C1)Cl)Cl)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations