Geometry & MOs

Info

ID:	78802
PubChem CID:	49732006
Reduced:	SN2O4C21H22 (1)
Stoich.:	AB2C4D21E22 (1)
Weight, g/mol:	428.122835
ΔH_f, kcal/mol:	-97.04
Dipole, Da:	2.85
IP(EA), eV:	-8.71(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-ethylsulfanylphenyl)-[4-[(6-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)COC4=CC=CC=C4

DOS

IR

Vibrations