Geometry & MOs

Info

ID:

24304

PubChem CID:

609199

Reduced:

Si3O7C38H68 (1)

Stoich.:

A3B7C38D68 (1)

Weight, g/mol:

720.427284

ΔHf, kcal/mol:

-524.28

Dipole, Da:

3.8

IP(EA), eV:

 -9.67(-0.45)

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-14-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)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O[Si](C)(C)C)C)C)O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations