Geometry & MOs

Info

ID:

222122

PubChem CID:

85294487

Reduced:

SiN3O11C39H47 (1)

Stoich.:

AB3C11D39E47 (1)

Weight, g/mol:

772.530946

ΔHf, kcal/mol:

-380.75

Dipole, Da:

4.23

IP(EA), eV:

 -9.22(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[2-[tert-butyl(dimethyl)silyl]oxy-10-hydroxy-10-[6-[5-[1-(methoxymethoxy)tridecyl]oxolan-2-yl]oxan-2-yl]deca-6,8-diynyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OC1C(C(C2C(O1)COC(O2)C3=CC=CC=C3)OC4C(C(C5C(O4)COC(O5)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)O)N=[N+]=[N-]

DOS

IR

Vibrations