Geometry & MOs

Info

ID:

53958

PubChem CID:

14718460

Reduced:

NSiO2C24H39 (1)

Stoich.:

ABC2D24E39 (1)

Weight, g/mol:

401.275006

ΔHf, kcal/mol:

-170.68

Dipole, Da:

6.97

IP(EA), eV:

-9.64(0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[[(3S,5S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy-dimethylsilyl]propanenitrile

Drug info:

PubChemData

Smile

CC12CCC(CC1CCC3C2CCC4(C3CCC4=O)C)O[Si](C)(C)CCC#N

DOS

IR

Vibrations