Geometry & MOs

Info

ID:	410101
PubChem CID:	135082890
Reduced:	O9C28H28 (1)
Stoich.:	A9B28C28 (1)
Weight, g/mol:	388.115818
ΔH_f, kcal/mol:	-298.41
Dipole, Da:	8.29
IP(EA), eV:	-8.08(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,8-dihydroxy-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]1[C@@H]([C@H]([C@H](O1)C2=C3C(=C(C=C2)OC)C(=CC4=C3OC(=O)C5=C4C(=CC(=C5)C=C)OC)OC)O)O)O

DOS

IR

Vibrations