Geometry & MOs

Info

ID:

388853

PubChem CID:

134990411

Reduced:

O10C25H26 (1)

Stoich.:

A10B25C26 (1)

Weight, g/mol:

660.460528

ΔHf, kcal/mol:

-379.78

Dipole, Da:

2.52

IP(EA), eV:

 -8.91(-1.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl 3-[(1S)-1-[(1S,3R,9S,10R,13S,14R,17S)-1,3-bis[[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]ethoxy]propanoate

Drug info:

PubChemData

Smile

CC1(OCC(O1)([C@]2(C[C@@H](C3=C(C2)C(=C4C(=C3O)C(=O)C5=C(C4=O)C=CC=C5OC)O)O)O)OC)C

DOS

IR

Vibrations