Geometry & MOs

Info

ID:	352760
PubChem CID:	127283849
Reduced:	OSF3N5C13H14 (1)
Stoich.:	ABC3D5E13F14 (1)
Weight, g/mol:	360.95543
ΔH_f, kcal/mol:	-81.7
Dipole, Da:	4.57
IP(EA), eV:	-8.8(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-(4-bromothiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-thiazinane 1-oxide

Drug info:

PubChemData

Smile

C1CS(=O)CCN1CC2=NN=NN2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations