Geometry & MOs

Info

ID:	326480
PubChem CID:	126687647
Reduced:	HC11F19 (1)
Stoich.:	AB11C19 (1)
Weight, g/mol:	415.92681
ΔH_f, kcal/mol:	-927.64
Dipole, Da:	0.99
IP(EA), eV:	-13.5(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1,2-dibromo-2-(4-methoxyphenyl)ethyl]-4-methylsulfanylbenzene

Drug info:

PubChemData

Smile

C1(C2(C(C(C(C1(F)F)(F)F)(F)F)(C(C(C(C2(F)F)(C(F)(F)F)F)(F)F)(F)F)F)F)F

DOS

IR

Vibrations