Geometry & MOs

Info

ID:	372147
PubChem CID:	131293797
Reduced:	BrClO2H6C7 (1)
Stoich.:	ABC2D6E7 (1)
Weight, g/mol:	214.046379
ΔH_f, kcal/mol:	-58.94
Dipole, Da:	5.12
IP(EA), eV:	-9.0(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-fluoro-6-methoxy-4-methylsulfanylphenyl)ethanone

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)Br)Cl)O

DOS

IR

Vibrations