Geometry & MOs

Info

ID:	78793
PubChem CID:	49731983
Reduced:	BrSN2O3H19C20 (1)
Stoich.:	ABC2D3E19F20 (1)
Weight, g/mol:	436.106848
ΔH_f, kcal/mol:	-54.55
Dipole, Da:	4.64
IP(EA), eV:	-8.73(-0.66)
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]-[2-(trifluoromethyl)phenyl]methanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations