Geometry & MOs

Info

ID:	35794
PubChem CID:	7980333
Reduced:	FNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-169.36
Dipole, Da:	2.77
IP(EA), eV:	-9.05(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]propan-2-yl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NCCC1=CC=C(C=C1)F)OC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations