Geometry & MOs

Info

ID:	228239
PubChem CID:	87563721
Reduced:	ClN3H20C24 (1)
Stoich.:	AB3C20D24 (1)
Weight, g/mol:	289.007661
ΔH_f, kcal/mol:	102.67
Dipole, Da:	5.99
IP(EA), eV:	-8.41(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-chloro-[1,3]thiazolo[4,5-c]pyridin-2-yl)benzamide

Drug info:

PubChemData

Smile

C1CC(C1)NC2=CC=C(C=C2)C3=C(C=C4C(=N3)C=CN=C4Cl)C5=CC=CC=C5

DOS

IR

Vibrations