Geometry & MOs

Info

ID:	142631
PubChem CID:	53069264
Reduced:	FSO3N5C17H18 (1)
Stoich.:	ABC3D5E17F18 (1)
Weight, g/mol:	336.06924
ΔH_f, kcal/mol:	-44.72
Dipole, Da:	10.34
IP(EA), eV:	-8.15(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-N-(4-fluoro-2-methylphenyl)-5-(5-methyl-3H-1,3,4-oxadiazol-2-ylidene)pyrrole-3-sulfonamide

Drug info:

PubChemData

Smile

CC1=NN/C(=C\2/C=C(C=N2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=C4F)/O1

DOS

IR

Vibrations