Geometry & MOs

Info

ID:

148466

PubChem CID:

53788128

Reduced:

Si3O4C47H84 (1)

Stoich.:

A3B4C47D84 (1)

Weight, g/mol:

796.567741

ΔHf, kcal/mol:

-346.0

Dipole, Da:

1.63

IP(EA), eV:

 -8.79(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[[(1S,3R,9S,10R,13S,14R)-1,3-bis[[tert-butyl(dimethyl)silyl]oxy]-17-ethyl-10,13-dimethyl-1,2,3,4,11,12,14,15-octahydrocyclopenta[a]phenanthren-9-yl]oxy]-3-ethylhex-4-yn-3-yl]oxy-triethylsilane

Drug info:

PubChemData

Smile

CCC1=CC[C@@H]2[C@@]1(CC[C@]3(C2=CC=C4[C@@]3([C@H](C[C@@H](C4)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)OCC#CC(CC)(CC)O[Si](CC)(CC)CC)C

DOS

IR

Vibrations