Geometry & MOs

Info

ID:	123287
PubChem CID:	50840680
Reduced:	FO2S2N4C17H17 (1)
Stoich.:	AB2C2D4E17F17 (1)
Weight, g/mol:	410.130967
ΔH_f, kcal/mol:	-24.17
Dipole, Da:	5.38
IP(EA), eV:	-8.99(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-chloro-6-fluorophenyl)-[4-[6-(3-methylphenyl)pyrimidin-4-yl]piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CCN(C1)S(=O)(=O)C2=CC=CN3C2=NN=C3SCC4=CC=C(C=C4)F

DOS

IR

Vibrations