Geometry & MOs

Info

ID:

84021

PubChem CID:

49863334

Reduced:

NCl2O3H15C22 (1)

Stoich.:

AB2C3D15E22 (1)

Weight, g/mol:

952.996249

ΔHf, kcal/mol:

-45.36

Dipole, Da:

2.57

IP(EA), eV:

 -8.56(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 1

Chem-info

IUPAC name:

[(1S,2S,3R,4S,5R,6S)-4-[2-[2-[(1R,2S,3R,4R,5S,6S)-2,5-dihydroxy-3,4,6-triphosphonooxycyclohexyl]oxyethylcarbamoylamino]ethoxy]-2,5-dihydroxy-3,6-diphosphonooxycyclohexyl]oxy-trihydroxyphosphanium

Drug info:

PubChemData

Smile

COC1=CC2=C(C3=C(C=CC(=C3)COC(=O)C4=CC=C(C=C4)Cl)N=C2C=C1)Cl

DOS

IR

Vibrations