Geometry & MOs

Info

ID:	312080
PubChem CID:	126602515
Reduced:	ClON2H9C10 (1)
Stoich.:	ABC2D9E10 (1)
Weight, g/mol:	421.13726
ΔH_f, kcal/mol:	1.94
Dipole, Da:	2.93
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-[4-[3-(4-oxo-5H-[1,3]thiazolo[5,4-c]pyridin-6-yl)cyclopent-2-en-1-yl]piperazin-1-yl]benzonitrile

Drug info:

PubChemData

Smile

CC1=C2C(=C(N=C1Cl)OC)C=CC=N2

DOS

IR

Vibrations