Geometry & MOs

Info

ID:

430959

PubChem CID:

135171029

Reduced:

FON3C24H28 (1)

Stoich.:

ABC3D24E28 (1)

Weight, g/mol:

428.258754

ΔHf, kcal/mol:

-42.83

Dipole, Da:

4.79

IP(EA), eV:

 -8.76(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-ethyl-N-[(1S,3R)-3-[[(5E)-5-ethylidene-4-methylidenefuran-2-yl]methylamino]cyclohexyl]-4-[(E)-2-fluoroprop-1-enyl]-5-methyl-1H-imidazole-2-carboxamide

Drug info:

PubChemData

Smile

CCN([C@H]1CCCC(C1)NCC2=CC=C(C=C2)F)C(=O)C3=CC4=CC=CC=C4N3

DOS

IR

Vibrations