Geometry & MOs

Info

ID:

215114

PubChem CID:

85084178

Reduced:

S2N6O7C34H38 (1)

Stoich.:

A2B6C7D34E38 (1)

Weight, g/mol:

706.392827

ΔHf, kcal/mol:

-146.54

Dipole, Da:

7.18

IP(EA), eV:

 -7.75(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[4b,8,8,10a-tetramethyl-2'-oxo-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyspiro[2,3,4,4a,5,6,7,8a,9,10-decahydrophenanthrene-1,4'-oxolane]-2-yl]-1-(4-methyl-5-oxo-2H-furan-2-yl)butan-2-yl] acetate

Drug info:

PubChemData

Smile

CC(C)C1(C(=O)N2C3C4(C(C2(C(=O)N1C)SC)OC56C(C47C(N5C(=O)C(N(C6=O)C)CO)NC8=CC=CC=C78)O)C9=CC=CC=C9N3)SC

DOS

IR

Vibrations