Geometry & MOs

Info

ID:	416130
PubChem CID:	135089138
Reduced:	FSN2O4C17H23 (1)
Stoich.:	ABC2D4E17F23 (1)
Weight, g/mol:	346.200491
ΔH_f, kcal/mol:	-174.65
Dipole, Da:	6.71
IP(EA), eV:	-9.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[[[4-(piperidine-1-carbonyl)pyridin-2-yl]amino]methyl]morpholin-4-yl]ethanone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2(CC2)C3=CC=CC=C3F

DOS

IR

Vibrations