Geometry & MOs

Info

ID:	191906
PubChem CID:	78199914
Reduced:	SN3H7C12 (1)
Stoich.:	AB3C7D12 (1)
Weight, g/mol:	225.032046
ΔH_f, kcal/mol:	120.23
Dipole, Da:	4.26
IP(EA), eV:	-8.97(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methylsulfanyl-4-oxo-3,7-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3=CSC4=NC=NC(=N2)C34

DOS

IR

Vibrations