Geometry & MOs

Info

ID:	34386
PubChem CID:	7891043
Reduced:	N3O4H15C22 (1)
Stoich.:	A3B4C15D22 (1)
Weight, g/mol:	419.140259
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	3.43
IP(EA), eV:	-9.24(-1.27)
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] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2O)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3CC#N

DOS

IR

Vibrations