Geometry & MOs

Info

ID:	353627
PubChem CID:	127285204
Reduced:	SO2N3C20H29 (1)
Stoich.:	AB2C3D20E29 (1)
Weight, g/mol:	328.182064
ΔH_f, kcal/mol:	-83.7
Dipole, Da:	7.76
IP(EA), eV:	-8.63(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-acetylpiperidin-4-yl)methyl]-2-(oxan-2-ylmethylsulfanyl)acetamide

Drug info:

PubChemData

Smile

CC(=O)N1CCC(CC1)CNC(=O)C2=CC=C(C=C2)CN3CCSCC3

DOS

IR

Vibrations