Geometry & MOs

Info

ID:

124872

PubChem CID:

50900540

Reduced:

NF3O7C22H28 (1)

Stoich.:

AB3C7D22E28 (1)

Weight, g/mol:

486.298139

ΔHf, kcal/mol:

-466.11

Dipole, Da:

3.3

IP(EA), eV:

 -9.57(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6R)-6-[(3R,4R,5R,10S,13R,14R,17R)-3,4-dihydroxy-4,10,13-trimethyl-7,11-dioxo-1,2,3,5,6,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-2-methyl-3-methylideneheptanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC(=O)OC/C=C/OC1=CC=C(C=C1)C(F)(F)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations