Geometry & MOs

Info

ID:	36055
PubChem CID:	7980705
Reduced:	N2O5H16C20 (1)
Stoich.:	A2B5C16D20 (1)
Weight, g/mol:	365.142722
ΔH_f, kcal/mol:	-74.35
Dipole, Da:	0.95
IP(EA), eV:	-9.26(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations