Geometry & MOs

Info

ID:

181226

PubChem CID:

76718490

Reduced:

O4N6C41H44 (1)

Stoich.:

A4B6C41D44 (1)

Weight, g/mol:

1034.084239

ΔHf, kcal/mol:

-74.46

Dipole, Da:

4.43

IP(EA), eV:

 -8.65(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

disodium;2-[4-(4-methoxyphenyl)phenoxy]-5-[4-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]benzene-5-id-1-yl]sulfonylbenzenesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2CCC(C2)C1C3=NC=C(N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C6=CN=C(N6)C7CCCN7C(=O)OCC8=CC=CC=C8

DOS

IR

Vibrations