Geometry & MOs

Info

ID:	63659
PubChem CID:	26758895
Reduced:	N2O7H20C22 (1)
Stoich.:	A2B7C20D22 (1)
Weight, g/mol:	391.108959
ΔH_f, kcal/mol:	-145.38
Dipole, Da:	7.03
IP(EA), eV:	-8.86(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=C(C=C(C=C1)OC)[N+](=O)[O-])OC(=O)C2=CC3=CC=CC=C3C=C2OC

DOS

IR

Vibrations