Geometry & MOs

Info

ID:

177474

PubChem CID:

76191157

Reduced:

FO3N4C23H32 (2)

Stoich.:

AB3C4D23E32 (2)

Weight, g/mol:

430.126382

ΔHf, kcal/mol:

-336.52

Dipole, Da:

4.68

IP(EA), eV:

 -8.08(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-1,4-dihydroxyanthracene-9,10-dione

Drug info:

PubChemData

Smile

CC1CCN(C1CC2=C(NC3=C2C=CC(=C3)F)C4=C(C5=C(N4)C=C(C=C5)F)CC6C(CCN6C(=O)C(C(C)OC)NC(=O)C(C)NC)C)C(=O)C(C(C)OC)NC(=O)C(C)NC

DOS

IR

Vibrations