Geometry & MOs

Info

ID:	17323
PubChem CID:	492963
Reduced:	PSN5O5F6C19H20 (1)
Stoich.:	ABC5D5E6F19G20 (1)
Weight, g/mol:	575.082696
ΔH_f, kcal/mol:	-483.64
Dipole, Da:	5.78
IP(EA), eV:	-8.6(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-[2-[bis(2,2,2-trifluoroethoxy)phosphorylmethoxy]ethyl]-6-(2-methoxyphenyl)sulfanylpurin-2-amine

Drug info:

PubChemData

Smile

COC1=CC=CC=C1SC2=NC(=NC3=C2N=CN3CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)N

DOS

IR

Vibrations