Geometry & MOs

Info

ID:	358012
PubChem CID:	127295526
Reduced:	OSN4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	398.235162
ΔH_f, kcal/mol:	5.37
Dipole, Da:	3.61
IP(EA), eV:	-8.71(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-2-(3-piperidin-1-ylpyrrolidin-1-yl)ethanone

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CCN(C2)CCC(=O)NC3=C(C=CS3)C#N

DOS

IR

Vibrations