Geometry & MOs

Info

ID:

5104

PubChem CID:

12594

Reduced:

SO5C19H28 (1)

Stoich.:

AB5C19D28 (1)

Weight, g/mol:

368.165745

ΔHf, kcal/mol:

-233.15

Dipole, Da:

1.51

IP(EA), eV:

 -9.5(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C

DOS

IR

Vibrations