Geometry & MOs

Info

ID:	125864
PubChem CID:	50941578
Reduced:	FOSN6C17H17 (1)
Stoich.:	ABCD6E17F17 (1)
Weight, g/mol:	330.106294
ΔH_f, kcal/mol:	-0.56
Dipole, Da:	3.91
IP(EA), eV:	-8.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluorophenyl)-7-piperazin-1-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-amine

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NC(=NC3=C2SC(=N3)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations