Geometry & MOs

Info

ID:

323195

PubChem CID:

126673425

Reduced:

O3H14C15 (1)

Stoich.:

A3B14C15 (1)

Weight, g/mol:

810.316628

ΔHf, kcal/mol:

-37.26

Dipole, Da:

4.66

IP(EA), eV:

 -9.84(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-ethyl-4-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-methylphenyl)sulfonyloxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzenesulfonic acid

Drug info:

PubChemData

Smile

C#CCCC(CC#C)C1=C(C=CC(=C1)O)C(=O)O

DOS

IR

Vibrations