Geometry & MOs

Info

ID:	35788
PubChem CID:	7980326
Reduced:	FN2O6H15C17 (1)
Stoich.:	AB2C6D15E17 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	-165.95
Dipole, Da:	9.1
IP(EA), eV:	-9.48(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC(=C(C=C1)F)[N+](=O)[O-])OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations