Geometry & MOs

Info

ID:

376874

PubChem CID:

134222904

Reduced:

O4H23C27 (2)

Stoich.:

A4B23C27 (2)

Weight, g/mol:

894.25324

ΔHf, kcal/mol:

-101.02

Dipole, Da:

6.75

IP(EA), eV:

 -8.65(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-ethoxy-2-[4-[4-[3-[4-[4-[2-ethoxy-5-[(E)-prop-1-enyl]phenoxy]phenyl]sulfonylphenoxy]phenoxy]phenyl]sulfonylphenoxy]-4-[(E)-prop-1-enyl]benzene

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C)OC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)OC4=CC(=CC=C4)OC5=CC=C(C=C5)C(=O)C6=CC=C(C=C6)OC7=C(C=CC(=C7)/C=C/C)OCC

DOS

IR

Vibrations