Geometry & MOs

Info

ID:	354755
PubChem CID:	127287515
Reduced:	SN6C20H24 (1)
Stoich.:	AB6C20D24 (1)
Weight, g/mol:	396.219512
ΔH_f, kcal/mol:	96.23
Dipole, Da:	6.47
IP(EA), eV:	-8.84(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methyl-2-morpholin-4-ylbutyl)-3-piperidin-1-ylsulfonylpyridin-2-amine

Drug info:

PubChemData

Smile

C1CCC2=NN=C(N2CC1)C3CCCN(C3)C4=NC(=NS4)C5=CC=CC=C5

DOS

IR

Vibrations