Geometry & MOs

Info

ID:

169182

PubChem CID:

75072199

Reduced:

O10C41H62 (1)

Stoich.:

A10B41C62 (1)

Weight, g/mol:

724.367006

ΔHf, kcal/mol:

-464.55

Dipole, Da:

6.82

IP(EA), eV:

 -9.56(0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[14-hydroxy-3-[4-hydroxy-6-methyl-5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OC1=CC2C3C(C3(C)COC(=O)C)CC(C4(C2=O)C=C(C(C4(C1OC(=O)C)O)OC(=O)C)C)C

DOS

IR

Vibrations