Geometry & MOs

Info

ID:	122782
PubChem CID:	50821152
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	409.093012
ΔH_f, kcal/mol:	-42.28
Dipole, Da:	5.29
IP(EA), eV:	-8.93(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N,2-dimethylthiophene-3-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)CN2C3=CC=CC=C3C(=N2)C(=O)N4CCCC4

DOS

IR

Vibrations