Geometry & MOs

Info

ID:

397410

PubChem CID:

135030180

Reduced:

SSiO3C20H28 (1)

Stoich.:

ABC3D20E28 (1)

Weight, g/mol:

470.244854

ΔHf, kcal/mol:

-134.14

Dipole, Da:

4.92

IP(EA), eV:

 -9.19(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[(E)-5-[(1'R,4'aR,8'aR)-1',4'a-dimethyl-2'-methylidenespiro[1,3-dioxolane-2,5'-3,4,6,7,8,8a-hexahydronaphthalene]-1'-yl]-3-methylpent-3-enyl]-6-chloropurine

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)OCCCCC[Si](C)(C)C2=CC=CC=C2

DOS

IR

Vibrations