Geometry & MOs

Info

ID:	260845
PubChem CID:	103206765
Reduced:	BrClSO2F3H7C9 (1)
Stoich.:	ABCD2E3F7G9 (1)
Weight, g/mol:	335.88343
ΔH_f, kcal/mol:	-209.1
Dipole, Da:	4.12
IP(EA), eV:	-9.65(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-4-chlorothiophen-2-yl)-2-(2,2,2-trifluoroethoxy)ethanone

Drug info:

PubChemData

Smile

C1=C(SC(=C1Cl)Br)C(=O)CCOCC(F)(F)F

DOS

IR

Vibrations