Geometry & MOs

Info

ID:

219929

PubChem CID:

85165055

Reduced:

FSN2Cl4O6H13C24 (1)

Stoich.:

ABC2D4E6F13G24 (1)

Weight, g/mol:

622.188739

ΔHf, kcal/mol:

-221.85

Dipole, Da:

7.27

IP(EA), eV:

 -9.12(-1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-[5-(2,4-dioxo-1,3-diazinan-1-yl)-2-(hydroxymethyl)-4-methoxyoxolan-3-yl]oxy-4-hydroxy-3-methoxy-8-oxo-7,9,18-trioxa-1,15-diaza-8lambda5-phosphatricyclo[11.3.1.12,5]octadecane-14,16-dione

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(=O)OC(=C2C3=CC(=C(C=C3N(C2=O)C(=O)N)Cl)F)C4=CC=CS4)C(=O)OCC(Cl)(Cl)Cl

DOS

IR

Vibrations