Geometry & MOs

Info

ID:	29983
PubChem CID:	838739
Reduced:	OS2N3C11H13 (1)
Stoich.:	AB2C3D11E13 (1)
Weight, g/mol:	259.052781
ΔH_f, kcal/mol:	19.85
Dipole, Da:	2.09
IP(EA), eV:	-9.34(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-1-phenyl-6-sulfanylidene-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC(C)C(=O)NC1=NN=C(S1)CC2=CC=CS2

DOS

IR

Vibrations