Geometry & MOs

Info

ID:	36100
PubChem CID:	7980764
Reduced:	NO4H21C23 (1)
Stoich.:	AB4C21D23 (1)
Weight, g/mol:	375.147058
ΔH_f, kcal/mol:	-107.62
Dipole, Da:	4.75
IP(EA), eV:	-9.29(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-[[(2S)-3-oxo-1-phenylbutan-2-yl]amino]ethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)COC(=O)C2=CC3=CC=CC=C3C=C2

DOS

IR

Vibrations