Geometry & MOs

Info

ID:

384241

PubChem CID:

134976607

Reduced:

NH21C24 (1)

Stoich.:

AB21C24 (1)

Weight, g/mol:

682.354349

ΔHf, kcal/mol:

108.02

Dipole, Da:

1.32

IP(EA), eV:

 -8.11(-0.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tri(propan-2-yl)silyl (3R,6Z,10S)-3-[tert-butyl(dimethyl)silyl]oxy-2-ethenyl-10-(methoxymethoxy)-3-methyl-2-phenylsulfanylcycloundec-6-en-4,8-diyne-1-carboxylate

Drug info:

PubChemData

Smile

C/C(=C(\C#CC1=CC=C(C=C1)N)/C2=CC=CC=C2)/CC3=CC=CC=C3

DOS

IR

Vibrations