Geometry & MOs

Info

ID:	67457
PubChem CID:	46506511
Reduced:	SO2N4C11H12 (1)
Stoich.:	AB2C4D11E12 (1)
Weight, g/mol:	280.099397
ΔH_f, kcal/mol:	-22.12
Dipole, Da:	0.96
IP(EA), eV:	-9.17(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-propan-2-yloxypropyl)-2-sulfanylidene-1H-pteridin-4-one

Drug info:

PubChemData

Smile

C1CC(OC1)CN2C(=O)C3=NC=CN=C3NC2=S

DOS

IR

Vibrations