Geometry & MOs

Info

ID:	347782
PubChem CID:	127272844
Reduced:	FSN3O3C14H18 (1)
Stoich.:	ABC3D3E14F18 (1)
Weight, g/mol:	276.040248
ΔH_f, kcal/mol:	-125.59
Dipole, Da:	5.2
IP(EA), eV:	-9.95(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-fluoropyridin-3-yl)sulfonyl-1,4-thiazepane

Drug info:

PubChemData

Smile

C1CC1C(=O)NC2CCN(CC2)S(=O)(=O)C3=CN=CC(=C3)F

DOS

IR

Vibrations