Geometry & MOs

Info

ID:	258028
PubChem CID:	103150068
Reduced:	N2F3O3C12H15 (1)
Stoich.:	A2B3C3D12E15 (1)
Weight, g/mol:	261.063506
ΔH_f, kcal/mol:	-276.34
Dipole, Da:	3.16
IP(EA), eV:	-10.41(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(2,2-difluoroethoxy)ethyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)CCOCC(F)(F)F)C)CC(=O)O

DOS

IR

Vibrations