Geometry & MOs

Info

ID:	260844
PubChem CID:	103206756
Reduced:	BrF3O3H6C8 (1)
Stoich.:	AB3C3D6E8 (1)
Weight, g/mol:	349.89908
ΔH_f, kcal/mol:	-225.12
Dipole, Da:	6.04
IP(EA), eV:	-10.1(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

C1=C(OC(=C1)Br)C(=O)COCC(F)(F)F

DOS

IR

Vibrations