Geometry & MOs

Info

ID:	141637
PubChem CID:	52906075
Reduced:	FOSN3H18C21 (1)
Stoich.:	ABCD3E18F21 (1)
Weight, g/mol:	416.087388
ΔH_f, kcal/mol:	9.46
Dipole, Da:	1.13
IP(EA), eV:	-8.62(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-amino-3-(3-fluorophenyl)-1,2-thiazol-5-yl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CC=CC=C2)C(=O)C3=C(C(=NS3)C4=CC(=CC=C4)F)N

DOS

IR

Vibrations