Geometry & MOs

Info

ID:	342166
PubChem CID:	127264879
Reduced:	SO2N3H11C14 (1)
Stoich.:	AB2C3D11E14 (1)
Weight, g/mol:	334.087747
ΔH_f, kcal/mol:	24.99
Dipole, Da:	2.97
IP(EA), eV:	-9.61(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,2-difluoro-1,3-benzodioxol-5-yl)methyl]-1-ethylpyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=CS1)C=CC2=C(C=NC=C2)C#N

DOS

IR

Vibrations