Geometry & MOs

Info

ID:

191737

PubChem CID:

78183140

Reduced:

N5F6O6C14H18 (1)

Stoich.:

A5B6C6D14E18 (1)

Weight, g/mol:

629.055903

ΔHf, kcal/mol:

-509.63

Dipole, Da:

6.61

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.788941

Charge, e:

 1

Chem-info

IUPAC name:

[2-[2-[1-(8-chloro-2-hydroxy-2-oxo-9-sulfamoyl-2lambda6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,4,6,8-pentaen-4-yl)-2-(6-chloro-3-oxo-2H-quinoxalin-2-yl)ethylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium

Drug info:

PubChemData

Smile

C1C(C(OC1N2CC(C(=O)NC2=O)C(OCC(F)(F)F)OCC(F)(F)F)CO)N=[N+]=N

DOS

IR

Vibrations