Geometry & MOs

Info

ID:

12332

PubChem CID:

135126

Reduced:

SO6C18H24 (1)

Stoich.:

AB6C18D24 (1)

Weight, g/mol:

368.12936

ΔHf, kcal/mol:

-265.06

Dipole, Da:

3.65

IP(EA), eV:

 -8.75(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,13S,14S,16R,17R)-3,16-dihydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

C[C@]12CC[C@H]3[C@H]([C@@H]1C[C@H]([C@@H]2OS(=O)(=O)O)O)CCC4=C3C=CC(=C4)O

DOS

IR

Vibrations