Geometry & MOs

Info

ID:

390960

PubChem CID:

135001836

Reduced:

O2C19H20 (1)

Stoich.:

A2B19C20 (1)

Weight, g/mol:

462.37091

ΔHf, kcal/mol:

-31.43

Dipole, Da:

1.79

IP(EA), eV:

 -9.31(0.18)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,5S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]spiro[1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthrene-6,2'-1,3-dioxolane]-1,3-diol

Drug info:

PubChemData

Smile

C1C(C=COC(O1)CCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations