Geometry & MOs

Info

ID:	297504
PubChem CID:	117619139
Reduced:	O2F3N3H10C12 (1)
Stoich.:	A2B3C3D10E12 (1)
Weight, g/mol:	507.224671
ΔH_f, kcal/mol:	-145.2
Dipole, Da:	2.61
IP(EA), eV:	-9.93(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[4-hydroxy-5-[[2-methylpropyl(propan-2-yl)amino]phosphanyloxymethyl]oxolan-2-yl]-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-3-yl]but-3-ynyl acetate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(F)(F)F)C2=NN=C(C(=O)N2O)C

DOS

IR

Vibrations