Geometry & MOs

Info

ID:

214694

PubChem CID:

85083422

Reduced:

O11C30H42 (1)

Stoich.:

A11B30C42 (1)

Weight, g/mol:

578.327495

ΔHf, kcal/mol:

-500.5

Dipole, Da:

3.18

IP(EA), eV:

 -9.75(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3'-[tert-butyl(dimethyl)silyl]oxy-10'a-(methoxymethyl)-1'-(2-methoxy-2-oxoethyl)-4'b,8'-dimethylspiro[1,3-dioxolane-2,7'-4,4a,5,6,8,10-hexahydro-1H-phenanthrene]-2'-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(C(C(O1)OC2CCC3(C4CCC5(C(C(CC5(C4CCC3(C2)O)O)O)C6=COC(=O)C=C6)C)C=O)O)O)O

DOS

IR

Vibrations