Geometry & MOs

Info

ID:	34406
PubChem CID:	7891191
Reduced:	OS2N3C21H23 (1)
Stoich.:	AB2C3D21E23 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	43.7
Dipole, Da:	4.36
IP(EA), eV:	-8.42(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-oxo-2-(2-phenylethylamino)ethyl] 1-hydroxynaphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(S2)NC3=CC=C(C=C3)CC

DOS

IR

Vibrations