Geometry & MOs

Info

ID:	349051
PubChem CID:	127274777
Reduced:	OSN2C9H14 (2)
Stoich.:	ABC2D9E14 (2)
Weight, g/mol:	349.182398
ΔH_f, kcal/mol:	-69.98
Dipole, Da:	2.95
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(oxan-2-ylmethylsulfanyl)-N-(5-piperidin-1-ylpyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)NC2=NC(=CS2)CN3CCC(CC3)C

DOS

IR

Vibrations