Geometry & MOs

Info

ID:

376873

PubChem CID:

134222903

Reduced:

SO3H13C16 (2)

Stoich.:

AB3C13D16 (2)

Weight, g/mol:

822.319268

ΔHf, kcal/mol:

-116.83

Dipole, Da:

3.69

IP(EA), eV:

 -9.53(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)OC3=CC(=CC=C3)OC4=CC=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C

DOS

IR

Vibrations