Geometry & MOs

Info

ID:	412856
PubChem CID:	135085785
Reduced:	FSBr2O2H7C9 (1)
Stoich.:	ABC2D2E7F9 (1)
Weight, g/mol:	258.030371
ΔH_f, kcal/mol:	-71.53
Dipole, Da:	3.52
IP(EA), eV:	-9.36(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2,2-bis(ethylsulfanyl)ethenyl]-4-chlorobenzene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC(=S)OCC(F)(Br)Br

DOS

IR

Vibrations