Geometry & MOs

Info

ID:

389008

PubChem CID:

134990896

Reduced:

NSiO7C24H41 (1)

Stoich.:

ABC7D24E41 (1)

Weight, g/mol:

498.14171

ΔHf, kcal/mol:

-374.76

Dipole, Da:

8.02

IP(EA), eV:

 -8.65(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(6S,8S,9R,10S,11S,13S,14S,16R,17S)-9-bromo-6-fluoro-11-hydroxy-10,13,16-trimethyl-3-oxo-2,6,7,8,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C[C@H]([C@@H]1[C@H](NC1=O)[C@@H](C)C(=O)C(C(=O)OCC=C)C(=O)OC(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations