Geometry & MOs

Info

ID:

53964

PubChem CID:

14718467

Reduced:

SiO2C30H54 (1)

Stoich.:

AB2C30D54 (1)

Weight, g/mol:

399.259356

ΔHf, kcal/mol:

-231.31

Dipole, Da:

3.2

IP(EA), eV:

 -9.06(0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCC(=O)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC[C@H]4[C@@]3(CCCC4)C)C

DOS

IR

Vibrations