Geometry & MOs

Info

ID:

223912

PubChem CID:

85335760

Reduced:

ClSN4O8C35H35 (1)

Stoich.:

ABC4D8E35F35 (1)

Weight, g/mol:

705.05125

ΔHf, kcal/mol:

-147.32

Dipole, Da:

30.73

IP(EA), eV:

 -8.62(-2.18)

Spin(Sz, S2):

 None, None

Charge, e:

 3

Chem-info

IUPAC name:

bis[[[3,4-dihydroxy-5-(2-oxo-1H-pyrrolo[2,3-d]pyrimidin-3-yl)oxolan-2-yl]methoxy-oxophosphaniumyl]oxy]-oxophosphanium

Drug info:

PubChemData

Smile

CC1(C2=C3C4=C(C=CC=[N+]4CCN3C1=CC=CC5=[N+](C6=C(O5)C=C(C=C6)S(=O)(=O)[O-])CCCCCC(=O)ON7C(=O)CCC7=O)C=C2)C.[Cl-]

DOS

IR

Vibrations