Geometry & MOs

Info

ID:	319140
PubChem CID:	126655106
Reduced:	FSN2O3H17C18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	317.027728
ΔH_f, kcal/mol:	-119.99
Dipole, Da:	4.07
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(6-chloro-1,3-benzothiazol-2-yl)oxy]phenyl]propan-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1=CC=C(C=C1)OC2=NC3=C(S2)C=C(C=C3)F

DOS

IR

Vibrations