Geometry & MOs

Info

ID:

233615

PubChem CID:

91146217

Reduced:

NOH11C14 (1)

Stoich.:

ABC11D14 (1)

Weight, g/mol:

1632.265679

ΔHf, kcal/mol:

87.74

Dipole, Da:

1.93

IP(EA), eV:

-8.83(-0.53)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

[4-[4-[9-[4-[4-(4-fluorobenzoyl)phenoxy]phenyl]fluoren-9-yl]phenoxy]phenyl]-[4-[4-[4-[4-[4-[4-(4-hydroxyphenyl)sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]sulfonylphenoxy]phenyl]methanone;methanesulfonic acid;trioxidanylsulfanylmethane

Drug info:

PubChemData

Smile

C#CC1=CC=C(C=C1)OC2=CC=CN=CC2

DOS

IR

Vibrations