Geometry & MOs

Info

ID:

191525

PubChem CID:

78158293

Reduced:

P4N6O21C22H32 (1)

Stoich.:

A4B6C21D22E32 (1)

Weight, g/mol:

567.907168

ΔHf, kcal/mol:

-1096.77

Dipole, Da:

4.9

IP(EA), eV:

 -8.28(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

trisodium;[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] [hydroxy(oxido)phosphinothioyl] phosphate

Drug info:

PubChemData

Smile

C1C=C2NC=CN2C(=O)N1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5CC=C6NC=CN6C5=O)O)O)O)O

DOS

IR

Vibrations