Geometry & MOs

Info

ID:	34043
PubChem CID:	7889572
Reduced:	NO3C25H25 (1)
Stoich.:	AB3C25D25 (1)
Weight, g/mol:	387.183444
ΔH_f, kcal/mol:	-88.31
Dipole, Da:	3.2
IP(EA), eV:	-9.02(-0.66)
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-naphthalen-1-ylacetate

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H]1CCCC2=CC=CC=C12)OC(=O)CC3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations