Geometry & MOs

Info

ID:	359044
PubChem CID:	127297288
Reduced:	SO3N5C18H27 (1)
Stoich.:	AB3C5D18E27 (1)
Weight, g/mol:	341.140927
ΔH_f, kcal/mol:	-102.56
Dipole, Da:	4.78
IP(EA), eV:	-9.32(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=C(N=CC=C2)N3CCC(CC3)N4CCNC4=O

DOS

IR

Vibrations