Geometry & MOs

Info

ID:	55
PubChem CID:	2027
Reduced:	P2N5C10O10H15 (1)
Stoich.:	A2B5C10D10E15 (1)
Weight, g/mol:	427.029416
ΔH_f, kcal/mol:	-494.4
Dipole, Da:	5.87
IP(EA), eV:	-9.63(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(6-aminopurin-9-yl)-4-hydroxy-5-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)OP(=O)(O)O)N

DOS

IR

Vibrations