Geometry & MOs

Info

ID:

10527

PubChem CID:

103822

Reduced:

O9C31H46 (1)

Stoich.:

A9B31C46 (1)

Weight, g/mol:

562.314183

ΔHf, kcal/mol:

-451.14

Dipole, Da:

3.74

IP(EA), eV:

 -10.12(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-(4,5-dihydroxy-6-methyloxan-2-yl)oxy-14-hydroxy-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

CC1C(C(CC(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CC(C5C6=CC(=O)OC6)OC(=O)C)O)C)C)O)O

DOS

IR

Vibrations