Geometry & MOs

Info

ID:	78796
PubChem CID:	49731997
Reduced:	SN2F3O3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	418.135114
ΔH_f, kcal/mol:	-219.11
Dipole, Da:	5.88
IP(EA), eV:	-8.79(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations