Geometry & MOs

Info

ID:	125865
PubChem CID:	50941579
Reduced:	FSN6C15H15 (1)
Stoich.:	ABC6D15E15 (1)
Weight, g/mol:	498.104101
ΔH_f, kcal/mol:	51.65
Dipole, Da:	3.01
IP(EA), eV:	-8.65(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NC(=NC3=C2SC(=N3)C4=CC=C(C=C4)F)N

DOS

IR

Vibrations