Geometry & MOs

Info

ID:	271244
PubChem CID:	103650175
Reduced:	ClSO3N4C10H11 (1)
Stoich.:	ABC3D4E10F11 (1)
Weight, g/mol:	264.082267
ΔH_f, kcal/mol:	-41.84
Dipole, Da:	3.78
IP(EA), eV:	-9.16(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-difluoro-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzonitrile

Drug info:

PubChemData

Smile

CC1=NC(=NO1)CCNC2=NC(=C(S2)C(=O)OC)Cl

DOS

IR

Vibrations