Geometry & MOs

Info

ID:	136737
PubChem CID:	52091536
Reduced:	SO2N7C24H25 (1)
Stoich.:	AB2C7D24E25 (1)
Weight, g/mol:	389.160023
ΔH_f, kcal/mol:	29.04
Dipole, Da:	4.66
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[6-(2-hydroxyethylamino)-1-phenylpyrazolo[3,4-d]pyrimidin-4-yl]amino]benzamide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C(=C(S2)NC3=C4C=NN(C4=NC(=N3)N5CCOCC5)C6=CC=CC=C6)C(=O)N

DOS

IR

Vibrations