Geometry & MOs

Info

ID:	78795
PubChem CID:	49731996
Reduced:	SN2F3O3H19C21 (1)
Stoich.:	AB2C3D3E19F21 (1)
Weight, g/mol:	436.106848
ΔH_f, kcal/mol:	-213.77
Dipole, Da:	4.31
IP(EA), eV:	-8.85(-0.96)
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]-[4-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations