Geometry & MOs

Info

ID:	183
PubChem CID:	2251
Reduced:	P3N5C10H13O13 (1)
Stoich.:	A3B5C10D13E13 (1)
Weight, g/mol:	503.972271
ΔH_f, kcal/mol:	-499.49
Dipole, Da:	9.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.784935
Charge, e:	-3

Chem-info

IUPAC name:

[[[5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations