Geometry & MOs

Info

ID:

181694

PubChem CID:

76777508

Reduced:

N8O9C27H36 (1)

Stoich.:

A8B9C27D36 (1)

Weight, g/mol:

588.103964

ΔHf, kcal/mol:

-262.23

Dipole, Da:

11.04

IP(EA), eV:

 -9.18(-2.35)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-1-[1-[[[3-(4-amino-2-oxopyrimidin-1-yl)-1-(hydroxymethyl)-2,5-dioxabicyclo[2.2.1]heptan-7-yl]oxy-hydroxyphosphinothioyl]oxymethyl]-7-hydroxy-2,5-dioxabicyclo[2.2.1]heptan-3-yl]pyrimidin-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C(=O)NC(CCC(=O)NCCOCCOCCOCCO)C(=O)O)NCC2=NC3C(=NC(=NC3=O)N)N=C2

DOS

IR

Vibrations