Geometry & MOs

Info

ID:	389651
PubChem CID:	134994277
Reduced:	MoSF3O3H5C9 (1)
Stoich.:	ABC3D3E5F9 (1)
Weight, g/mol:	288.00448
ΔH_f, kcal/mol:	-217.93
Dipole, Da:	5.73
IP(EA), eV:	-8.78(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-tert-butylsulfinyl-4-iodobutane

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].C1=C[CH]C=C1.C(F)(F)(F)[S-].[Mo]

DOS

IR

Vibrations