Geometry & MOs

Info

ID:

53956

PubChem CID:

14718458

Reduced:

NOSiC32H55 (1)

Stoich.:

ABCD32E55 (1)

Weight, g/mol:

497.405292

ΔHf, kcal/mol:

-162.85

Dipole, Da:

5.2

IP(EA), eV:

 -9.41(1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O[Si](C)(C)CCC#N)C)C

DOS

IR

Vibrations