Geometry & MOs

Info

ID:	36119
PubChem CID:	7980786
Reduced:	N2O4H20C23 (1)
Stoich.:	A2B4C20D23 (1)
Weight, g/mol:	367.097521
ΔH_f, kcal/mol:	-82.16
Dipole, Da:	1.22
IP(EA), eV:	-9.06(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC=CC=C2NC(=O)COC(=O)C3=CC4=CC=CC=C4C=C3

DOS

IR

Vibrations