Geometry & MOs

Info

ID:	35795
PubChem CID:	7980334
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-134.43
Dipole, Da:	3.99
IP(EA), eV:	-9.22(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-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)N[C@@H]1CCCC2=CC=CC=C12)OC(=O)COC3=CC=CC=C3

DOS

IR

Vibrations