Geometry & MOs

Info

ID:	434215
PubChem CID:	135174448
Reduced:	PN4O5C11H15 (1)
Stoich.:	AB4C5D11E15 (1)
Weight, g/mol:	660.12069
ΔH_f, kcal/mol:	-226.72
Dipole, Da:	3.63
IP(EA), eV:	-9.67(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-3H-purin-9-yl)oxolan-2-yl]methyl [(3S,4R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CC1=C2C(=NC=N1)N(C=N2)C3CCC(O3)COP(=O)(O)O

DOS

IR

Vibrations