Geometry & MOs

Info

ID:

147071

PubChem CID:

53786674

Reduced:

O3H8C9 (3)

Stoich.:

A3B8C9 (3)

Weight, g/mol:

358.250795

ΔHf, kcal/mol:

-304.21

Dipole, Da:

5.53

IP(EA), eV:

 -10.12(-0.84)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(8R,9S,10R,13S,14S,17S)-2,10,13-trimethyl-3-oxo-1,2,4,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)O[C@@H]2[C@H](C([C@H]([C@@H](C2OC(=O)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4)O)O)O

DOS

IR

Vibrations