Geometry & MOs

Info

ID:

11225

PubChem CID:

112077

Reduced:

O5C24H30 (1)

Stoich.:

A5B24C30 (1)

Weight, g/mol:

398.209324

ΔHf, kcal/mol:

-147.33

Dipole, Da:

7.3

IP(EA), eV:

 -8.71(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[(8S,10S,13S,14S,16R,17R)-17-hydroxy-10,13,16-trimethyl-3-oxo-7,8,12,14,15,16-hexahydro-6H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C3=CC[C@@]2([C@]1(C(=O)COC(=O)C)O)C)C

DOS

IR

Vibrations