Geometry & MOs

Info

ID:	68693
PubChem CID:	46508908
Reduced:	NSO3C11H11 (2)
Stoich.:	ABC3D11E11 (2)
Weight, g/mol:	419.04807
ΔH_f, kcal/mol:	-139.79
Dipole, Da:	5.1
IP(EA), eV:	-9.21(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl 2-(butylamino)benzoate

Drug info:

PubChemData

Smile

CC1=C(N=C(O1)C2=CC=CS2)COC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4

DOS

IR

Vibrations