Geometry & MOs

Info

ID:	78797
PubChem CID:	49731999
Reduced:	SN2O3H22C24 (1)
Stoich.:	AB2C3D22E24 (1)
Weight, g/mol:	462.161329
ΔH_f, kcal/mol:	-41.7
Dipole, Da:	4.12
IP(EA), eV:	-8.7(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethoxynaphthalen-1-yl)-[4-[(5-methoxy-1,3-benzothiazol-2-yl)oxy]piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)SC(=N2)OC3CCN(CC3)C(=O)C4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations