Geometry & MOs

Info

ID:

15796

PubChem CID:

451159

Reduced:

FO3C26H37 (1)

Stoich.:

AB3C26D37 (1)

Weight, g/mol:

415.275207

ΔHf, kcal/mol:

-225.43

Dipole, Da:

9.21

IP(EA), eV:

 -9.64(0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(7R,10R,13S,16R,17S)-7-(3-(18F)fluoranylpropyl)-10,13,16-trimethylspiro[2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-17,5'-oxolane]-2',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2C3[C@@H](CC4=CC(=O)CC[C@@]4(C3CC[C@@]2([C@]15CCC(=O)O5)C)C)CCC[18F]

DOS

IR

Vibrations