Geometry & MOs

Info

ID:	68099
PubChem CID:	46507749
Reduced:	ClSO3N4H9C12 (1)
Stoich.:	ABC3D4E9F12 (1)
Weight, g/mol:	286.117824
ΔH_f, kcal/mol:	-14.8
Dipole, Da:	2.0
IP(EA), eV:	-9.64(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[3-(4-methoxyphenyl)-2H-1,2,4-oxadiazol-5-ylidene]-5-N-methylpyrazole-3,5-diamine

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CS(=O)(=O)C2=NN3C(=NNC3=O)C=C2)Cl

DOS

IR

Vibrations