Geometry & MOs

Info

ID:

394851

PubChem CID:

135023953

Reduced:

SnO2F3H14C15 (1)

Stoich.:

AB2C3D14E15 (1)

Weight, g/mol:

210.125594

ΔHf, kcal/mol:

-157.39

Dipole, Da:

6.16

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.786848

Charge, e:

 0

Chem-info

IUPAC name:

(2R,3aS,7aR)-7a-ethyl-2-propan-2-yl-3a,4-dihydro-1,3-benzodioxol-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C(=C(/C(F)(F)F)\[Sn+])/CC(=C)C(=O)OC

DOS

IR

Vibrations