Geometry & MOs

Info

ID:	347792
PubChem CID:	127272854
Reduced:	FSO2N3C14H20 (1)
Stoich.:	ABC2D3E14F20 (1)
Weight, g/mol:	272.099477
ΔH_f, kcal/mol:	-98.18
Dipole, Da:	4.74
IP(EA), eV:	-9.02(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-fluoropyridin-3-yl)sulfonyl-4-methylazepane

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CCCN2S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations