Geometry & MOs

Info

ID:	345204
PubChem CID:	127268964
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	314.166414
ΔH_f, kcal/mol:	-49.01
Dipole, Da:	2.04
IP(EA), eV:	-8.86(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N=C1CSCC(=O)N3CCOC4C3CCCC4

DOS

IR

Vibrations