Geometry & MOs

Info

ID:	39451
PubChem CID:	8140848
Reduced:	OSN4C21H24 (1)
Stoich.:	ABC4D21E24 (1)
Weight, g/mol:	348.147393
ΔH_f, kcal/mol:	54.18
Dipole, Da:	7.31
IP(EA), eV:	-8.47(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-hydroxynaphthalene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2=CC=CC=C2)C)C(=O)[C@@H](C)SC3=NN=C(N3C4CC4)C

DOS

IR

Vibrations