Geometry & MOs

Info

ID:

18432

PubChem CID:

540899

Reduced:

O11C41H60 (1)

Stoich.:

A11B41C60 (1)

Weight, g/mol:

728.413563

ΔHf, kcal/mol:

-545.27

Dipole, Da:

4.63

IP(EA), eV:

 -9.4(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[10,13-dimethyl-17-(6-methyl-4-oxohept-2-en-2-yl)-3-(3,4,5-triacetyloxy-6-methyloxan-2-yl)oxy-2,3,4,5,6,7,8,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-6-yl] acetate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C(C2)C(CC4C3=CCC5(C4CCC5C(=CC(=O)CC(C)C)C)C)OC(=O)C)C)OC(=O)C)OC(=O)C)OC(=O)C

DOS

IR

Vibrations