Geometry & MOs

Info

ID:

224093

PubChem CID:

85338104

Reduced:

F3N7C33H36 (1)

Stoich.:

A3B7C33D36 (1)

Weight, g/mol:

590.991256

ΔHf, kcal/mol:

-42.06

Dipole, Da:

5.05

IP(EA), eV:

 -8.69(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[[5-[5-(3-aminopropyldisulfanyl)-2,4-dioxo-1,3-diazinan-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)NC2=NC=CC(=N2)C3=CC(=NN=C3C4=CC(=CC=C4)C(F)(F)F)N5CCC(CC5)N6CCCCC6

DOS

IR

Vibrations