Geometry & MOs

Info

ID:

221596

PubChem CID:

85285420

Reduced:

O5C34H36 (1)

Stoich.:

A5B34C36 (1)

Weight, g/mol:

526.220922

ΔHf, kcal/mol:

-154.76

Dipole, Da:

2.54

IP(EA), eV:

 -8.4(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-10-(methoxymethoxy)-3-methyl-2-phenylsulfanylcycloundec-6-en-4,8-diyne-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(C2)(C)COC(=O)C(C)C3=CC4=C(C=C3)C=C(C=C4)OC)C)OCC5=CC=CC=C5)C

DOS

IR

Vibrations