Geometry & MOs

Info

ID:

6422

PubChem CID:

68582

Reduced:

SO4C23H30 (1)

Stoich.:

AB4C23D30 (1)

Weight, g/mol:

402.186481

ΔHf, kcal/mol:

-134.76

Dipole, Da:

3.15

IP(EA), eV:

 -8.72(-0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] propane-2-sulfonate

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@]4(C#C)O)C

DOS

IR

Vibrations