Geometry & MOs

Info

ID:

6516

PubChem CID:

68795

Reduced:

O5C21H28 (1)

Stoich.:

A5B21C28 (1)

Weight, g/mol:

360.193674

ΔHf, kcal/mol:

-230.84

Dipole, Da:

10.92

IP(EA), eV:

 -10.53(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(8S,9S,10R,11S,13S,14S,17S)-11,17-dihydroxy-10,13,17-trimethyl-3-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-2-carboxylic acid

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)C(=C[C@]34C)C(=O)O)O)C)O

DOS

IR

Vibrations