Geometry & MOs

Info

ID:	915
PubChem CID:	3525
Reduced:	PN5O8C10H14 (1)
Stoich.:	AB5C8D10E14 (1)
Weight, g/mol:	363.057999
ΔH_f, kcal/mol:	-343.35
Dipole, Da:	8.26
IP(EA), eV:	-9.4(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-amino-6-oxo-3H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC2=C(N1C3C(C(C(O3)CO)O)OP(=O)(O)O)NC(=NC2=O)N

DOS

IR

Vibrations