Geometry & MOs

Info

ID:

57

PubChem CID:

2029

Reduced:

P4N7C19O20H27 (1)

Stoich.:

A4B7C19D20E27 (1)

Weight, g/mol:

797.026134

ΔHf, kcal/mol:

-1031.48

Dipole, Da:

6.89

IP(EA), eV:

 -9.24(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [5-(2,4-dioxopyrimidin-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] hydrogen phosphate

Drug info:

PubChemData

Smile

C1C(C(OC1N2C=CC(=O)NC2=O)COP(=O)(O)O)OP(=O)(O)OP(=O)(O)OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)O)OP(=O)(O)O

DOS

IR

Vibrations