Geometry & MOs

Info

ID:

224815

PubChem CID:

85392679

Reduced:

NSiO10C36H47 (1)

Stoich.:

ABC10D36E47 (1)

Weight, g/mol:

460.300886

ΔHf, kcal/mol:

-332.5

Dipole, Da:

8.68

IP(EA), eV:

 -8.82(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10-[[tert-butyl(dimethyl)silyl]oxymethyl]-13-methyl-17-oxo-1,2,3,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-4-yl] acetate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(C1=C2C3C#CC=CC#CC(C2=CC(=O)O3)(C=C1OC(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C

DOS

IR

Vibrations