Geometry & MOs

Info

ID:

26050

PubChem CID:

637117

Reduced:

O5H12C16 (1)

Stoich.:

A5B12C16 (1)

Weight, g/mol:

670.18977

ΔHf, kcal/mol:

-148.54

Dipole, Da:

4.65

IP(EA), eV:

 -9.67(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3R,4R,5R,6S)-6-[(9S)-2,4-dihydroxy-7-methyl-10-oxo-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9H-anthracen-9-yl]-3,4,5-trihydroxyoxan-2-yl] benzoate

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)OC

DOS

IR

Vibrations