Geometry & MOs

Info

ID:

141837

PubChem CID:

52936230

Reduced:

S2F3N4O6H17C24 (1)

Stoich.:

A2B3C4D6E17F24 (1)

Weight, g/mol:

600.036105

ΔHf, kcal/mol:

-295.8

Dipole, Da:

2.91

IP(EA), eV:

 -9.0(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

sodium;9-[(3,4-difluorophenyl)methyl]-7-fluoro-3-[7-(methanesulfonamido)-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-3-yl]-2-oxoquinolizin-4-olate

Drug info:

PubChemData

Smile

CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C3C(=O)C=C4C(=CC(=CN4C3=O)F)CC5=CC(=CC(=C5)F)F)NS2(=O)=O

DOS

IR

Vibrations