Geometry & MOs

Info

ID:	158430
PubChem CID:	56463632
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	438.173705
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	6.97
IP(EA), eV:	-8.69(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-5-(diethylsulfamoyl)-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2F)C(=O)NCC(C)N(C)C3CC3

DOS

IR

Vibrations