Geometry & MOs

Info

ID:

134411

PubChem CID:

51693157

Reduced:

O8C17H24 (1)

Stoich.:

A8B17C24 (1)

Weight, g/mol:

469.331785

ΔHf, kcal/mol:

-355.78

Dipole, Da:

3.12

IP(EA), eV:

 -9.66(0.12)

Spin(Sz, S2):

 None, None

Charge, e:

 -1

Chem-info

IUPAC name:

(E,6S)-7-hydroxy-2-methyl-6-[(5S,10S,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC[C@@H](CC(=O)O)O[C@H]2[C@@H]([C@@H]([C@@H]([C@@H](O2)CO)O)O)O

DOS

IR

Vibrations