Geometry & MOs

Info

ID:	71111
PubChem CID:	48414302
Reduced:	O2N6H18C19 (1)
Stoich.:	A2B6C18D19 (1)
Weight, g/mol:	414.136176
ΔH_f, kcal/mol:	81.54
Dipole, Da:	4.59
IP(EA), eV:	-9.68(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-3-(methylsulfamoyl)benzamide

Drug info:

PubChemData

Smile

CC(C)C(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=CC4=NNN=C4C=C3

DOS

IR

Vibrations