Geometry & MOs

Info

ID:

177016

PubChem CID:

76125618

Reduced:

S4N5O17C47H47 (1)

Stoich.:

A4B5C17D47E47 (1)

Weight, g/mol:

404.329045

ΔHf, kcal/mol:

-464.09

Dipole, Da:

13.71

IP(EA), eV:

 -5.77(-2.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-hydroxy-8-[2-(4-methyldeca-1,5-dienyl)cyclopent-3-en-1-yl]octyl] acetate

Drug info:

PubChemData

Smile

CC1(C2=CC=CC=C2[N+](=C1C=CC=C3C(C4=C(N3CS(=O)(=O)O)C=CC(=C4)CNC(=O)C[N+]5=C(OC6=C5C=C(C=C6)S(=O)(=O)O)C=CC=C7N(C8=C(O7)C=CC(=C8)S(=O)(=O)O)CC(=O)O)(C)C)CS(=O)(=O)O)C

DOS

IR

Vibrations