Geometry & MOs

Info

ID:	67456
PubChem CID:	46506510
Reduced:	SO2N4H8C11 (1)
Stoich.:	AB2C4D8E11 (1)
Weight, g/mol:	264.068097
ΔH_f, kcal/mol:	22.06
Dipole, Da:	3.28
IP(EA), eV:	-9.33(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(oxolan-2-ylmethyl)-2-sulfanylidene-1H-pteridin-4-one

Drug info:

PubChemData

Smile

C1=COC(=C1)CN2C(=O)C3=NC=CN=C3NC2=S

DOS

IR

Vibrations