Geometry & MOs

Info

ID:	143069
PubChem CID:	53142250
Reduced:	ClOSF3N4H16C17 (1)
Stoich.:	ABCD3E4F16G17 (1)
Weight, g/mol:	415.18421
ΔH_f, kcal/mol:	-155.08
Dipole, Da:	11.02
IP(EA), eV:	-9.06(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-piperidin-1-ylpyrimidin-2-yl)sulfanylethanone

Drug info:

PubChemData

Smile

C1CCN(C1)C2=NC(=NC=C2)SCC(=O)NC3=CC(=C(C=C3)Cl)C(F)(F)F

DOS

IR

Vibrations