Geometry & MOs

Info

ID:

567

PubChem CID:

3005

Reduced:

FO6C38H59 (1)

Stoich.:

AB6C38D59 (1)

Weight, g/mol:

630.429568

ΔHf, kcal/mol:

-367.71

Dipole, Da:

8.87

IP(EA), eV:

 -9.79(-0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(9-fluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl)-2-oxoethyl] hexadecanoate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(=O)C1(C(CC2C1(CC(C3(C2CCC4=CC(=O)C=CC43C)F)O)C)C)O

DOS

IR

Vibrations