Geometry & MOs

Info

ID:

388930

PubChem CID:

134990632

Reduced:

N3O9C15H19 (1)

Stoich.:

A3B9C15D19 (1)

Weight, g/mol:

486.1781

ΔHf, kcal/mol:

-358.68

Dipole, Da:

3.86

IP(EA), eV:

 -10.54(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(3S,5R,6R,8S,9S,10R,13S,14S,16R,17S)-5-bromo-6-fluoro-3-hydroxy-10,13,16-trimethyl-1,2,3,4,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

CC(=O)OCC1C(C(C(O1)N2C=NC(=NC2=O)OC)OC(=O)C)OC(=O)C

DOS

IR

Vibrations