Geometry & MOs

Info

ID:

397624

PubChem CID:

135030485

Reduced:

S2F3O5C16H22 (1)

Stoich.:

A2B3C5D16E22 (1)

Weight, g/mol:

75.026846

ΔHf, kcal/mol:

-370.52

Dipole, Da:

4.81

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780345

Charge, e:

 -1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC(C)[S+](C1=CC=CC=C1CO[C@H]2CCCCO2)OS(=O)(=O)C(F)(F)F

DOS

IR

Vibrations