Geometry & MOs

Info

ID:

398969

PubChem CID:

135036669

Reduced:

O2S2C7H7 (1)

Stoich.:

A2B2C7D7 (1)

Weight, g/mol:

360.035916

ΔHf, kcal/mol:

34.22

Dipole, Da:

0.32

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.792124

Charge, e:

 0

Chem-info

IUPAC name:

(3-trimethylstannylcyclohexyl) 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

COC(=O)C(=[C])C1=[S+]CCS1

DOS

IR

Vibrations