Geometry & MOs

Info

ID:	346725
PubChem CID:	127271229
Reduced:	N2S3O4C13H22 (1)
Stoich.:	A2B3C4D13E22 (1)
Weight, g/mol:	335.16452
ΔH_f, kcal/mol:	-163.81
Dipole, Da:	8.74
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C)C1=NC(=CS1)CCNS(=O)(=O)C2CCS(=O)(=O)CC2

DOS

IR

Vibrations