Geometry & MOs

Info

ID:

223786

PubChem CID:

85335566

Reduced:

ClF3O3N4C27H30 (1)

Stoich.:

AB3C3D4E27F30 (1)

Weight, g/mol:

550.22528

ΔHf, kcal/mol:

-243.93

Dipole, Da:

7.22

IP(EA), eV:

 -9.23(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[9-chloro-17-(2-chloroacetyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CCC1N(CCN2CCC(C2)O)C(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F)(C4=CC=CC(=C4)C#N)O

DOS

IR

Vibrations