Geometry & MOs

Info

ID:	320430
PubChem CID:	126660883
Reduced:	SO3N9C23H33 (1)
Stoich.:	AB3C9D23E33 (1)
Weight, g/mol:	588.19083
ΔH_f, kcal/mol:	-10.75
Dipole, Da:	4.32
IP(EA), eV:	-7.79(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-amino-3-[2-fluoro-4-(2,3,5,6-tetrafluorophenoxy)phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclooctyl]-N-methyl-2-oxoacetamide

Drug info:

PubChemData

Smile

CC(C)S(=O)(=O)N1CCN(CC1)CC2=NN3C=C(N=C(C3=CC2)N4CCOCC4)C5=CN=C(N=C5)N

DOS

IR

Vibrations