Geometry & MOs

Info

ID:

439464

PubChem CID:

135229238

Reduced:

SF3N5C20H24 (1)

Stoich.:

AB3C5D20E24 (1)

Weight, g/mol:

1060.418648

ΔHf, kcal/mol:

-100.27

Dipole, Da:

10.95

IP(EA), eV:

 -8.68(-0.91)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[3-[[2-(2-methylprop-2-enoyloxy)-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]-[4-[4-[1-[2-(2-methylprop-2-enoyloxy)-5-[4-(2-methylprop-2-enoyloxy)phenyl]phenyl]ethyl]phenyl]phenyl]methyl]cyclopenta-1,4-dien-1-yl]phenyl] 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

CCSC1=C(N=C(N1C)C2CCCCC2)C3=NC4=CC(=NC=C4N3C)C(F)(F)F

DOS

IR

Vibrations