Geometry & MOs

Info

ID:	348966
PubChem CID:	127274692
Reduced:	SO3N4C19H32 (1)
Stoich.:	AB3C4D19E32 (1)
Weight, g/mol:	383.224263
ΔH_f, kcal/mol:	-148.59
Dipole, Da:	1.49
IP(EA), eV:	-8.97(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(oxan-2-ylmethylsulfanyl)acetyl]piperazin-1-yl]-1-piperidin-1-ylethanone

Drug info:

PubChemData

Smile

CCCC(=O)N1CSCC1C(=O)N2CCN(CC2)CC(=O)N3CCCCC3

DOS

IR

Vibrations