Geometry & MOs

Info

ID:

5964

PubChem CID:

14193

Reduced:

NaSO5C19H27 (1)

Stoich.:

ABC5D19E27 (1)

Weight, g/mol:

390.147689

ΔHf, kcal/mol:

-278.02

Dipole, Da:

9.95

IP(EA), eV:

 -9.03(0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;[(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] 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.[Na+]

DOS

IR

Vibrations