Geometry & MOs

Info

ID:

214962

PubChem CID:

85083927

Reduced:

PSiN2O8C33H43 (1)

Stoich.:

ABC2D8E33F43 (1)

Weight, g/mol:

654.359025

ΔHf, kcal/mol:

-366.52

Dipole, Da:

4.91

IP(EA), eV:

 -9.71(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[1-ethenyl-6,8-bis(methoxymethoxy)-6-methyl-2-bicyclo[3.2.1]octanyl]-1-[(4-methoxyphenyl)methoxy]-2,2-dimethyl-5-phenylsulfanylhept-6-en-3-ol

Drug info:

PubChemData

Smile

COC(=O)C(CC1=CC=C(C=C1)P(=O)(C2=CC=C(C=C2)CC(C(=O)OCC[Si](C)(C)C)NC(=O)OCC3=CC=CC=C3)OC)N

DOS

IR

Vibrations