Geometry & MOs

Info

ID:

24305

PubChem CID:

609200

Reduced:

Si4O8C41H76 (1)

Stoich.:

A4B8C41D76 (1)

Weight, g/mol:

808.461726

ΔHf, kcal/mol:

-625.6

Dipole, Da:

5.33

IP(EA), eV:

 -9.56(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[10,13-dimethyl-3-[6-methyl-4,5-bis(trimethylsilyloxy)oxan-2-yl]oxy-12,14-bis(trimethylsilyloxy)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CC(C5(C4(CCC5C6=CC(=O)OC6)O[Si](C)(C)C)C)O[Si](C)(C)C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations