Geometry & MOs

Info

ID:

566

PubChem CID:

3004

Reduced:

FSO9C29H33 (1)

Stoich.:

ABC9D29E33 (1)

Weight, g/mol:

576.182932

ΔHf, kcal/mol:

-400.58

Dipole, Da:

4.48

IP(EA), eV:

 -9.91(-1.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[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-oxoethoxy]carbonylbenzenesulfonic acid

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COC(=O)C5=CC(=CC=C5)S(=O)(=O)O)O)C)O)F)C

DOS

IR

Vibrations