Geometry & MOs

Info

ID:	62773
PubChem CID:	26736729
Reduced:	ClOSF2N2H9C16 (1)
Stoich.:	ABCD2E2F9G16 (1)
Weight, g/mol:	369.020245
ΔH_f, kcal/mol:	-56.24
Dipole, Da:	3.8
IP(EA), eV:	-9.1(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2-chlorophenyl)piperazin-1-yl]-(2,6-dichloropyridin-4-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=NC(=CS2)C(=O)NC3=C(C=C(C=C3)F)Cl)F

DOS

IR

Vibrations