Geometry & MOs

Info

ID:	369821
PubChem CID:	127336198
Reduced:	FSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	353.177313
ΔH_f, kcal/mol:	-81.58
Dipole, Da:	2.01
IP(EA), eV:	-8.94(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(oxan-4-ylsulfonyl)-N-(1-pyridin-3-ylethyl)piperidin-4-amine

Drug info:

PubChemData

Smile

C1CC(=O)NC2=CC(=C(C=C21)C3=CSC(=N3)CN4CCOCC4)F

DOS

IR

Vibrations