Geometry & MOs

Info

ID:

47195

PubChem CID:

10530595

Reduced:

SiO4C33H56 (1)

Stoich.:

AB4C33D56 (1)

Weight, g/mol:

544.431172

ΔHf, kcal/mol:

-270.32

Dipole, Da:

5.09

IP(EA), eV:

-9.0(-0.35)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(6R)-6-[(3S,9S,10R,13R,14R,17R)-3-[tert-butyl(dimethyl)silyl]oxy-10,13-dimethyl-2,3,4,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2,3-dimethylheptane-2,3-diol

Drug info:

PubChemData

Smile

CCCCCCCCCCCCC/C=C/1\C(=O)OCC1(COCC2=CC=CC=C2)CO[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations