Geometry & MOs

Info

ID:

223905

PubChem CID:

85335747

Reduced:

SCl2N6O6C31H38 (1)

Stoich.:

AB2C6D6E31F38 (1)

Weight, g/mol:

697.052473

ΔHf, kcal/mol:

-216.97

Dipole, Da:

4.57

IP(EA), eV:

 -9.26(-1.47)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-[[[[5-(2,4-dioxo-1,3-diazinan-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxophosphaniumyl]-difluoromethyl]-oxophosphaniumyl]oxy-oxophosphanium

Drug info:

PubChemData

Smile

CCC1=NC2=C(N1CC3CCN(CC3)C(=O)CCC(C(=O)OC)NC(=O)C4CCCN4S(=O)(=O)C5=CC(=CC(=C5)Cl)Cl)C=CN=C2

DOS

IR

Vibrations