Geometry & MOs

Info

ID:	333005
PubChem CID:	127251429
Reduced:	FSN3O3C21H26 (1)
Stoich.:	ABC3D3E21F26 (1)
Weight, g/mol:	435.138341
ΔH_f, kcal/mol:	-128.09
Dipole, Da:	3.52
IP(EA), eV:	-9.63(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(2-chlorophenyl)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)F

DOS

IR

Vibrations