Geometry & MOs

Info

ID:

53971

PubChem CID:

14718476

Reduced:

NSiO3C26H39 (1)

Stoich.:

ABC3D26E39 (1)

Weight, g/mol:

441.269921

ΔHf, kcal/mol:

-184.95

Dipole, Da:

6.13

IP(EA), eV:

 -9.69(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1(CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C)O[Si](C)(C)CCC#N

DOS

IR

Vibrations