Geometry & MOs

Info

ID:	32552
PubChem CID:	7843086
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-105.43
Dipole, Da:	4.16
IP(EA), eV:	-9.4(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 2-naphthalen-2-yloxyacetate

Drug info:

PubChemData

Smile

C[C@@H](CCC1=CC=CC=C1)NC(=O)[C@H](C)OC(=O)COC2=CC=C(C=C2)C#N

DOS

IR

Vibrations