Geometry & MOs

Info

ID:	434254
PubChem CID:	135174525
Reduced:	PN5O5C11H16 (1)
Stoich.:	AB5C5D11E16 (1)
Weight, g/mol:	548.153297
ΔH_f, kcal/mol:	-229.48
Dipole, Da:	2.08
IP(EA), eV:	-9.0(-0.42)
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 [(3R)-5-(hydroxymethyl)-2-(6-oxo-3H-purin-9-yl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C[C@H]1CC(OC1N2C=NC3=C(N=CN=C32)N)COP(=O)(O)O

DOS

IR

Vibrations