Geometry & MOs

Info

ID:

1727

PubChem CID:

4951

Reduced:

O4C15H21 (2)

Stoich.:

A4B15C21 (2)

Weight, g/mol:

530.287968

ΔHf, kcal/mol:

-365.52

Dipole, Da:

4.94

IP(EA), eV:

 -9.34(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[14-hydroxy-10,13-dimethyl-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy-1,2,3,6,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(CCC5(C4CCC3=C2)O)C6=COC(=O)C=C6)C)C)O)O)O

DOS

IR

Vibrations