Geometry & MOs

Info

ID:	205686
PubChem CID:	80133714
Reduced:	FON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	314.050733
ΔH_f, kcal/mol:	-45.89
Dipole, Da:	2.79
IP(EA), eV:	-9.57(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(1,1-dioxothian-3-yl)-6-methoxy-7H-purine-8-thione

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C(C2=CC(=CC(=C2)C)F)O

DOS

IR

Vibrations