Geometry & MOs

Info

ID:	349096
PubChem CID:	127274822
Reduced:	SO2N3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	323.166748
ΔH_f, kcal/mol:	-79.26
Dipole, Da:	6.02
IP(EA), eV:	-8.3(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1H-imidazol-2-yl)piperidin-1-yl]-2-(oxan-2-ylmethylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1CCOC(C1)CSCC(=O)N2CCC(CC2)C3=NC=CN3

DOS

IR

Vibrations