Geometry & MOs

Info

ID:	141908
PubChem CID:	52949739
Reduced:	SO2N5C19H21 (1)
Stoich.:	AB2C5D19E21 (1)
Weight, g/mol:	374.149124
ΔH_f, kcal/mol:	-16.31
Dipole, Da:	6.05
IP(EA), eV:	-8.65(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxyanilino)-1-methylpyrazolo[3,4-d]pyrimidin-6-yl]benzamide

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)C2=CC3=C(S2)C(=CN=C3N[C@H]4CCCNC4)C(=O)N

DOS

IR

Vibrations