Geometry & MOs

Info

ID:	359051
PubChem CID:	127297295
Reduced:	S2N4O4C15H24 (1)
Stoich.:	A2B4C4D15E24 (1)
Weight, g/mol:	339.161663
ΔH_f, kcal/mol:	-148.52
Dipole, Da:	5.16
IP(EA), eV:	-8.85(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(oxan-4-ylmethyl)-3-piperidin-1-ylsulfonylpyridin-2-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)NCCN3CCCS3(=O)=O

DOS

IR

Vibrations