Geometry & MOs

Info

ID:	126231
PubChem CID:	50956284
Reduced:	SO2N6C14H26 (1)
Stoich.:	AB2C6D14E26 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-70.71
Dipole, Da:	4.23
IP(EA), eV:	-8.39(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methyl]-2-phenylsulfanylacetamide

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=CC(=N1)N2CCC(CC2)NS(=O)(=O)C)N

DOS

IR

Vibrations