Geometry & MOs

Info

ID:	36410
PubChem CID:	8006083
Reduced:	SO3N5C18H19 (1)
Stoich.:	AB3C5D18E19 (1)
Weight, g/mol:	417.143704
ΔH_f, kcal/mol:	-70.22
Dipole, Da:	1.45
IP(EA), eV:	-8.57(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-[1-(3,5-dimethylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]oxyacetamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N[C@@H]3CCSC4=CC=CC=C34

DOS

IR

Vibrations