Geometry & MOs

Info

ID:	416392
PubChem CID:	135089405
Reduced:	N3O3C19H25 (1)
Stoich.:	A3B3C19D25 (1)
Weight, g/mol:	393.115855
ΔH_f, kcal/mol:	-57.32
Dipole, Da:	5.04
IP(EA), eV:	-8.67(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-[2-(4-fluorophenyl)sulfonylethylamino]pyridin-3-yl]-morpholin-4-ylmethanone

Drug info:

PubChemData

Smile

CCCC1=NC(=NO1)N2CCC3(CC2)C4=C(CCO3)C=CC=C4OC

DOS

IR

Vibrations