Geometry & MOs

Info

ID:	122964
PubChem CID:	50828753
Reduced:	SN2O2C11H12 (2)
Stoich.:	AB2C2D11E12 (2)
Weight, g/mol:	403.096834
ΔH_f, kcal/mol:	-49.46
Dipole, Da:	4.79
IP(EA), eV:	-8.67(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-4-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide

Drug info:

PubChemData

Smile

CCC1=NC(=NO1)C2=CSC(=C2)S(=O)(=O)N3CCC(CC3)C(=O)N4CCC5=CC=CC=C54

DOS

IR

Vibrations