Geometry & MOs

Info

ID:	197276
PubChem CID:	78946335
Reduced:	FSN2O3C12H13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	245.083413
ΔH_f, kcal/mol:	-118.3
Dipole, Da:	6.3
IP(EA), eV:	-9.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolidin-1-ylsulfonylmorpholine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)F)S(=O)(=O)N2CCOC(C2)C#N

DOS

IR

Vibrations