Geometry & MOs

Info

ID:

379728

PubChem CID:

134461612

Reduced:

SF3O3N7H22C26 (1)

Stoich.:

AB3C3D7E22F26 (1)

Weight, g/mol:

852.397715

ΔHf, kcal/mol:

-113.54

Dipole, Da:

3.6

IP(EA), eV:

 -8.94(-1.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[4-[(3-methyl-3-bicyclo[3.3.1]nonanyl)oxy]phenyl]-6-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propoxy]phenyl]heptan-2-yl]phenoxy]anthracene

Drug info:

PubChemData

Smile

C1C[C@H](COC1)NC2=C(N=C(S2)C(F)(F)F)C3=NN=C(O3)N[C@@H]4C(=O)NC5=CC=CC=C5C(=N4)C6=CC=CC=C6

DOS

IR

Vibrations