Geometry & MOs

Info

ID:

308182

PubChem CID:

125317229

Reduced:

N2O5H26C27 (1)

Stoich.:

A2B5C26D27 (1)

Weight, g/mol:

416.219889

ΔHf, kcal/mol:

-128.7

Dipole, Da:

5.54

IP(EA), eV:

 -8.78(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(OC2=CC3=C(C=C12)C(=C(C(=O)O3)CC(=O)NCC[C@@H]4C=NC5=C4C=CC(=C5)OC)C)C

DOS

IR

Vibrations