Geometry & MOs

Info

ID:

19904

PubChem CID:

574816

Reduced:

NSi3O4C37H71 (1)

Stoich.:

AB3C4D37E71 (1)

Weight, g/mol:

677.469089

ΔHf, kcal/mol:

-426.91

Dipole, Da:

5.83

IP(EA), eV:

 -9.3(1.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[10,13-dimethyl-3,7,12-tris(trimethylsilyloxy)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]-1-pyrrolidin-1-ylpentan-1-one

Drug info:

PubChemData

Smile

CC(CCC(=O)N1CCCC1)C2CCC3C2(C(CC4C3C(CC5C4(CCC(C5)O[Si](C)(C)C)C)O[Si](C)(C)C)O[Si](C)(C)C)C

DOS

IR

Vibrations