Geometry & MOs

Info

ID:	24903
PubChem CID:	614361
Reduced:	SO2N5C7H7 (1)
Stoich.:	AB2C5D7E7 (1)
Weight, g/mol:	225.032046
ΔH_f, kcal/mol:	4.56
Dipole, Da:	2.55
IP(EA), eV:	-9.13(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylsulfanyl-4-oxo-1,2-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

CSC1=NC(=O)C2=C(NNC2=N1)C(=O)N

DOS

IR

Vibrations