Geometry & MOs

Info

ID:	434438
PubChem CID:	135174924
Reduced:	FPN4O6C11H14 (1)
Stoich.:	ABC4D6E11F14 (1)
Weight, g/mol:	628.119628
ΔH_f, kcal/mol:	-319.31
Dipole, Da:	3.89
IP(EA), eV:	-8.69(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)oxolan-2-yl]methyl [2-(6-oxo-3H-purin-9-yl)-5-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1[C@H](C(OC1COP(=O)(O)O)N2C=C(C3=C(N=CN=C32)N)F)O

DOS

IR

Vibrations