Geometry & MOs

Info

ID:	347790
PubChem CID:	127272852
Reduced:	FS2N3O3C14H20 (1)
Stoich.:	AB2C3D3E14F20 (1)
Weight, g/mol:	357.152241
ΔH_f, kcal/mol:	-128.18
Dipole, Da:	4.15
IP(EA), eV:	-8.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(5-fluoropyridin-3-yl)sulfonylpyrrolidin-2-yl]methyl]-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

C1CSCC1(CNS(=O)(=O)C2=CN=CC(=C2)F)N3CCOCC3

DOS

IR

Vibrations