Geometry & MOs

Info

ID:

227

PubChem CID:

2367

Reduced:

FPO8C22H30 (1)

Stoich.:

ABC8D22E30 (1)

Weight, g/mol:

472.166233

ΔHf, kcal/mol:

-465.85

Dipole, Da:

8.41

IP(EA), eV:

 -9.74(-0.86)

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] dihydrogen phosphate

Drug info:

PubChemData

Smile

CC1CC2C3CCC4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)COP(=O)(O)O)O)C)O)F)C

DOS

IR

Vibrations