Geometry & MOs

Info

ID:	258097
PubChem CID:	103150870
Reduced:	OF3N3C12H20 (1)
Stoich.:	AB3C3D12E20 (1)
Weight, g/mol:	313.058421
ΔH_f, kcal/mol:	-200.12
Dipole, Da:	3.11
IP(EA), eV:	-8.87(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-(2,2-difluoroethoxy)ethyl]-1,3-thiazol-4-yl]benzoic acid

Drug info:

PubChemData

Smile

CC(C)(C)NCC1=CN=C(N1)CCOCC(F)(F)F

DOS

IR

Vibrations