Geometry & MOs

Info

ID:

431023

PubChem CID:

135171093

Reduced:

ION3F4H10C15 (1)

Stoich.:

ABC3D4E10F15 (1)

Weight, g/mol:

432.270068

ΔHf, kcal/mol:

-141.89

Dipole, Da:

6.34

IP(EA), eV:

 -9.03(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[(3R)-3-[[(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienyl]amino]cyclohexyl]-4-[(E)-2-fluoroprop-1-enyl]-5-methyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC(=C(N=C1)/N=C(/C(=C\N)/C2=CC=C(C=C2)OC(F)(F)F)\I)F

DOS

IR

Vibrations