Geometry & MOs

Info

ID:	36063
PubChem CID:	7980713
Reduced:	N3O3H15C22 (1)
Stoich.:	A3B3C15D22 (1)
Weight, g/mol:	403.145344
ΔH_f, kcal/mol:	-5.76
Dipole, Da:	6.39
IP(EA), eV:	-9.46(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(3R)-1,1-dioxothiolan-3-yl]-(2-methylpropyl)amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

DOS

IR

Vibrations