Geometry & MOs

Info

ID:	333004
PubChem CID:	127251428
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-127.17
Dipole, Da:	5.3
IP(EA), eV:	-9.58(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3-fluorophenyl)methyl]-6-methylpyridin-2-yl]-4-pyrrolidin-1-ylsulfonylmorpholine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C2CN(CCO2)S(=O)(=O)N3CCCC3)CC4=CC=C(C=C4)F

DOS

IR

Vibrations