Geometry & MOs

Info

ID:	9919
PubChem CID:	94754
Reduced:	OSH4N4C5 (1)
Stoich.:	ABC4D4E5 (1)
Weight, g/mol:	168.010582
ΔH_f, kcal/mol:	52.82
Dipole, Da:	9.31
IP(EA), eV:	-9.72(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-sulfanyl-1,2-dihydropyrazolo[3,4-d]pyrimidin-6-one

Drug info:

PubChemData

Smile

C1=C2C(=NC(=O)N=C2S)NN1

DOS

IR

Vibrations