Geometry & MOs

Info

ID:

298253

PubChem CID:

117648142

Reduced:

FO3C23H31 (1)

Stoich.:

AB3C23D31 (1)

Weight, g/mol:

440.19639

ΔHf, kcal/mol:

-118.21

Dipole, Da:

1.92

IP(EA), eV:

 -9.36(-0.77)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(11,17-dihydroxy-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-yl)-2-oxoethoxy]-methylphosphinic acid

Drug info:

PubChemData

Smile

CC1CC2C3CCC(C3(CC(C2(C4(C1=CC(=O)C=C4)C)F)O)C)(C(=C)C)O

DOS

IR

Vibrations