Geometry & MOs

Info

ID:

168926

PubChem CID:

75041568

Reduced:

P2N5C11O11H18 (1)

Stoich.:

A2B5C11D11E18 (1)

Weight, g/mol:

622.131846

ΔHf, kcal/mol:

-532.6

Dipole, Da:

7.23

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.784742

Charge, e:

 0

Chem-info

IUPAC name:

[5-(2-amino-6-oxo-5H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[hydroxy(phosphonooxy)phosphoryl]methyl]phosphinic acid;N,N-diethylethanamine

Drug info:

PubChemData

Smile

CN1C=[N+](C2=C1C(=O)N=C(N2)N)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O

DOS

IR

Vibrations