Geometry & MOs

Info

ID:	358733
PubChem CID:	127296547
Reduced:	FSN2O2C11H13 (1)
Stoich.:	ABC2D2E11F13 (1)
Weight, g/mol:	372.99834
ΔH_f, kcal/mol:	-83.4
Dipole, Da:	3.28
IP(EA), eV:	-9.69(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)sulfonyl]-4-methylidenepiperidine

Drug info:

PubChemData

Smile

C=C1CCN(CC1)S(=O)(=O)C2=CN=CC(=C2)F

DOS

IR

Vibrations