Geometry & MOs

Info

ID:	158359
PubChem CID:	56463504
Reduced:	FSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	432.183127
ΔH_f, kcal/mol:	-100.15
Dipole, Da:	7.96
IP(EA), eV:	-9.27(-1.13)
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]-4-(3-methylbutylsulfanyl)-3-nitrobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations