Geometry & MOs

Info

ID:	260964
PubChem CID:	103211425
Reduced:	BrClF3O3C13H15 (1)
Stoich.:	ABC3D3E13F15 (1)
Weight, g/mol:	459.79519
ΔH_f, kcal/mol:	-276.08
Dipole, Da:	4.13
IP(EA), eV:	-9.16(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-[chloro-(3-chloro-4-iodophenyl)methyl]-2-methylthiophene

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C(CCOCC(F)(F)F)Cl)OC)Br

DOS

IR

Vibrations