Geometry & MOs

Info

ID:	57344
PubChem CID:	22395695
Reduced:	ON3C5H7 (1)
Stoich.:	AB3C5D7 (1)
Weight, g/mol:	522.972903
ΔH_f, kcal/mol:	-3.27
Dipole, Da:	2.39
IP(EA), eV:	-8.89(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-3H-purin-9-yl)-2-(sulfanylmethyl)oxolan-3-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1C=NC=C(N1)C(=O)N

DOS

IR

Vibrations