Geometry & MOs

Info

ID:	176959
PubChem CID:	76117251
Reduced:	SO5N8C19H22 (1)
Stoich.:	AB5C8D19E22 (1)
Weight, g/mol:	404.938906
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	8.64
IP(EA), eV:	-9.09(-2.21)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

trihydroxy-[1,2,3-trihydroxy-5-[hydroxy(phosphonooxy)phosphoryl]oxy-4,5-dioxopentyl]phosphanium

Drug info:

PubChemData

Smile

CS(=CCC(C(=O)O)NC(=O)C1=CC=C(C=C1)NCC2=NC3C(=NC(=NC3=O)N)N=C2)(=O)N

DOS

IR

Vibrations