Geometry & MOs

Info

ID:	434277
PubChem CID:	135174575
Reduced:	PN5O5C11H16 (1)
Stoich.:	AB5C5D11E16 (1)
Weight, g/mol:	658.141426
ΔH_f, kcal/mol:	-222.51
Dipole, Da:	2.66
IP(EA), eV:	-8.74(-0.34)
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 [(4S)-5-(6-aminopurin-9-yl)-4-methyl-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

CNC1=C2C(=NC=N1)N(C=N2)C3CCC(O3)COP(=O)(O)O

DOS

IR

Vibrations