Geometry & MOs

Info

ID:	125863
PubChem CID:	50941577
Reduced:	ClOSN6C11H13 (1)
Stoich.:	ABCD6E11F13 (1)
Weight, g/mol:	372.116859
ΔH_f, kcal/mol:	26.08
Dipole, Da:	2.67
IP(EA), eV:	-8.92(-1.28)
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]ethanone

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=NC(=NC3=C2SC(=N3)Cl)N

DOS

IR

Vibrations