Geometry & MOs

Info

ID:

388826

PubChem CID:

134990322

Reduced:

O5H20C21 (1)

Stoich.:

A5B20C21 (1)

Weight, g/mol:

496.14605

ΔHf, kcal/mol:

-155.62

Dipole, Da:

3.7

IP(EA), eV:

 -9.56(-1.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C1=CC=CC=C1)C2(C(=O)C3=CC=CC=C3OC2=O)C(=O)OCC

DOS

IR

Vibrations