Geometry & MOs

Info

ID:	142630
PubChem CID:	53069263
Reduced:	ClFSO3N4H10C13 (1)
Stoich.:	ABCD3E4F10G13 (1)
Weight, g/mol:	391.111439
ΔH_f, kcal/mol:	-56.82
Dipole, Da:	11.56
IP(EA), eV:	-8.94(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylpyrrol-2-ylidene]-5-methyl-3H-1,3,4-oxadiazole

Drug info:

PubChemData

Smile

CC1=NN/C(=C\2/C=C(C=N2)S(=O)(=O)NC3=C(C=C(C=C3)Cl)F)/O1

DOS

IR

Vibrations