Geometry & MOs

Info

ID:	260846
PubChem CID:	103206766
Reduced:	BrClSO2F3H5C8 (1)
Stoich.:	ABCD2E3F5G8 (1)
Weight, g/mol:	336.01726
ΔH_f, kcal/mol:	-201.58
Dipole, Da:	3.6
IP(EA), eV:	-9.46(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromo-4-ethoxyphenyl)-3-(2,2-difluoroethoxy)propan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations