Geometry & MOs

Info

ID:	25160
PubChem CID:	620353
Reduced:	PSN2F3O3C16H18 (1)
Stoich.:	ABC2D3E3F16G18 (1)
Weight, g/mol:	338.115424
ΔH_f, kcal/mol:	-329.25
Dipole, Da:	7.47
IP(EA), eV:	-9.33(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,4-dihydroxy-2-(2-hydroxy-2-methylpent-4-enyl)anthracene-9,10-dione

Drug info:

PubChemData

Smile

CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C2=CC=C(C=C2)C(F)(F)F

DOS

IR

Vibrations