Geometry & MOs

Info

ID:

161795

PubChem CID:

57392708

Reduced:

N3O4H19C23 (1)

Stoich.:

A3B4C19D23 (1)

Weight, g/mol:

1104.04148

ΔHf, kcal/mol:

-78.33

Dipole, Da:

3.3

IP(EA), eV:

 -8.89(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[2-[4-[4-[4-[1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-4-yl]-5-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazol-2-yl]phenyl]phenyl]-5-(1,1,2,2,2-pentafluoroethyl)-1,3-oxazol-4-yl]pyridin-1-ium-1-yl]-N,N-dimethylacetamide;diiodide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=CC=C(N3)C4=CC(=CC=C4)C(=O)O)/NC2=O

DOS

IR

Vibrations