Geometry & MOs

Info

ID:

391146

PubChem CID:

135003143

Reduced:

SO3N6C41H44 (1)

Stoich.:

AB3C6D41E44 (1)

Weight, g/mol:

368.08357

ΔHf, kcal/mol:

39.39

Dipole, Da:

5.29

IP(EA), eV:

 -8.13(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(E)-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enyl]-1-phenylbutane-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(C)/C=C/[C@]2(C3=CC=CC=C3N(C2=O)C)C4=CC=CC5=C4N[C@@H]6C5[C@@H](CN6C)[C@@]78CCN([C@@H]7NC9=CC=CC=C89)C

DOS

IR

Vibrations