Geometry & MOs

Info

ID:	140534
PubChem CID:	52716384
Reduced:	S2O3N4C18H20 (1)
Stoich.:	A2B3C4D18E20 (1)
Weight, g/mol:	404.209993
ΔH_f, kcal/mol:	-43.71
Dipole, Da:	5.49
IP(EA), eV:	-8.9(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(6-methoxynaphthalen-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)propanamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)NC1=NC2=C(S1)CCC2)NC3=NS(=O)(=O)C4=CC=CC=C43

DOS

IR

Vibrations