Geometry & MOs

Info

ID:	143992
PubChem CID:	53294828
Reduced:	SO2F3N5H16C20 (1)
Stoich.:	AB2C3D5E16F20 (1)
Weight, g/mol:	439.086287
ΔH_f, kcal/mol:	-69.97
Dipole, Da:	4.04
IP(EA), eV:	-8.92(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-amino-3,5-dicyano-6-[1-(2-fluoroanilino)-1-oxopropan-2-yl]sulfanylpyridin-4-yl]-3-methyloxadiazol-3-ium-5-olate

Drug info:

PubChemData

Smile

CC(C)[N+]1=NOC(=C1)/N=C(\CSC2=C(C(=CC(=N2)C3=CC=CC=C3)C(F)(F)F)C#N)/[O-]

DOS

IR

Vibrations