Geometry & MOs

Info

ID:

52

PubChem CID:

2023

Reduced:

P3N5C16O18H26 (1)

Stoich.:

A3B5C16D18E26 (1)

Weight, g/mol:

669.04857

ΔHf, kcal/mol:

-943.31

Dipole, Da:

7.46

IP(EA), eV:

 -9.72(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-(6-aminopurin-9-yl)-4-[3-hydroxy-6-(hydroxymethyl)-4,5-diphosphonooxyoxan-2-yl]oxy-5-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)CO)OC4C(C(C(C(O4)CO)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)N

DOS

IR

Vibrations