Geometry & MOs

Info

ID:	35796
PubChem CID:	7980335
Reduced:	NO4C21H23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	353.162708
ΔH_f, kcal/mol:	-131.99
Dipole, Da:	5.04
IP(EA), eV:	-9.3(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-oxo-1-[[(1S)-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