Geometry & MOs

Info

ID:

127660

PubChem CID:

51010498

Reduced:

SN2O2F3C19H19 (1)

Stoich.:

AB2C2D3E19F19 (1)

Weight, g/mol:

466.136749

ΔHf, kcal/mol:

-177.24

Dipole, Da:

3.62

IP(EA), eV:

 -8.77(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[1-[(1R,4R)-3-(trifluoromethyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]-1-[(1R,4S)-3-(trifluoromethyl)-2-bicyclo[2.2.1]hepta-2,5-dienyl]ethyl] benzoate

Drug info:

PubChemData

Smile

C1C[C@@H]2CC(C[C@@H]1N2)OC(=O)N(CC3=C(C(=C(C=C3)F)F)F)C4=CC=CS4

DOS

IR

Vibrations