Geometry & MOs

Info

ID:	333003
PubChem CID:	127251427
Reduced:	SN3O3C21H27 (1)
Stoich.:	AB3C3D21E27 (1)
Weight, g/mol:	419.167891
ΔH_f, kcal/mol:	-79.34
Dipole, Da:	5.08
IP(EA), eV:	-9.47(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-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=CC=C4

DOS

IR

Vibrations