Geometry & MOs

Info

ID:

144001

PubChem CID:

53296785

Reduced:

FSO3N4H17C27 (1)

Stoich.:

ABC3D4E17F27 (1)

Weight, g/mol:

582.06849

ΔHf, kcal/mol:

18.87

Dipole, Da:

2.48

IP(EA), eV:

 -8.41(-1.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(Z)-N-[4-[[5-[2-(4-bromoanilino)-2-oxoethyl]-3-cyclopropyl-4-oxo-2-sulfanylideneimidazolidin-1-yl]methyl]-3-methyloxadiazol-3-ium-5-yl]benzenecarboximidate

Drug info:

PubChemData

Smile

C[N+]1=NOC(=C1C(=O)C2=C(C3=C(S2)N=C(C=C3C4=CC(=CC=C4)F)C5=CC=CC6=CC=CC=C65)N)[O-]

DOS

IR

Vibrations