Geometry & MOs

Info

ID:	179607
PubChem CID:	76510778
Reduced:	P2N7O14C22H30 (1)
Stoich.:	A2B7C14D22E30 (1)
Weight, g/mol:	339.99605
ΔH_f, kcal/mol:	-632.94
Dipole, Da:	5.58
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905266
Charge, e:	0

Chem-info

IUPAC name:

[2,3-dihydroxy-6-(hydroxymethyl)-5-phosphonooxyoxan-4-yl] dihydrogen phosphate

Drug info:

PubChemData

Smile

CNC1=C2C(=NC=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)[N+]5=CC=CC(=C5)C(=O)N)O)O)O)O

DOS

IR

Vibrations