Geometry & MOs

Info

ID:

376189

PubChem CID:

134222194

Reduced:

NOF3C12H12 (2)

Stoich.:

ABC3D12E12 (2)

Weight, g/mol:

600.00724

ΔHf, kcal/mol:

-383.51

Dipole, Da:

1.2

IP(EA), eV:

 -9.42(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-4-[(E)-3-(4-chloro-3,5-dimethylphenyl)-4,4,4-trifluorobut-1-enyl]-N-[2-sulfanylidene-2-(2,2,2-trifluoroethylamino)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)C(/C=C/C2=CC(=C(C=C2)C(=O)NCC(=O)NCC(F)(F)F)C)C(F)(F)F)C

DOS

IR

Vibrations