Geometry & MOs

Info

ID:

339186

PubChem CID:

127260565

Reduced:

SO6C19H30 (1)

Stoich.:

AB6C19D30 (1)

Weight, g/mol:

305.235479

ΔHf, kcal/mol:

-290.81

Dipole, Da:

4.55

IP(EA), eV:

 -9.6(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5R,8S,9S,10S,11S,13S,14S,17E)-17-hydroxyimino-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,16-tetradecahydrocyclopenta[a]phenanthren-11-ol

Drug info:

PubChemData

Smile

C[C@]12CC[C@@H](CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3C[C@H]([C@@H]4O)O)C)OS(=O)(=O)O

DOS

IR

Vibrations