Geometry & MOs

Info

ID:

222112

PubChem CID:

85294249

Reduced:

O9C36H62 (1)

Stoich.:

A9B36C62 (1)

Weight, g/mol:

646.226156

ΔHf, kcal/mol:

-480.17

Dipole, Da:

7.55

IP(EA), eV:

 -9.34(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-acetyloxy-2-(3,4,6,9-tetraacetyloxy-1-hydroxy-4b,8,8-trimethyl-10-oxo-6,7-dihydro-5H-phenanthren-2-yl)propyl] acetate

Drug info:

PubChemData

Smile

CC1CC(CC(O1)CCC(C)C2C(C(OC(O2)(C)C)C(C)C3CC(OC(O3)(C)C)C(C)C(CC4CC=CC(=O)O4)OC)C)OC

DOS

IR

Vibrations