Geometry & MOs

Info

ID:	397428
PubChem CID:	135030204
Reduced:	F3O3H13C18 (1)
Stoich.:	A3B3C13D18 (1)
Weight, g/mol:	284.044007
ΔH_f, kcal/mol:	-216.73
Dipole, Da:	4.87
IP(EA), eV:	-10.06(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-amino-5-sulfanylidene-1H-1,2,4-triazol-3-yl)-7a-hydroxy-1,7-dihydropyrazolo[3,4-d]pyrimidine-4,6-dione

Drug info:

PubChemData

Smile

C1C(C(OC1=O)(C(=O)C2=CC=CC=C2)C(F)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations