Geometry & MOs

Info

ID:	63686
PubChem CID:	26758974
Reduced:	NSO6C21H25 (1)
Stoich.:	ABC6D21E25 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-226.3
Dipole, Da:	4.04
IP(EA), eV:	-8.97(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[[(3S)-1,1-dioxothiolan-3-yl]-ethylamino]-1-oxopropan-2-yl] 3-methoxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCN([C@@H]1CCS(=O)(=O)C1)C(=O)[C@H](C)OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations