Geometry & MOs

Info

ID:	163507
PubChem CID:	58010494
Reduced:	FSO2N3C21H24 (1)
Stoich.:	ABC2D3E21F24 (1)
Weight, g/mol:	333.95239
ΔH_f, kcal/mol:	-75.13
Dipole, Da:	10.79
IP(EA), eV:	-8.86(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-bromo-[1,3]thiazolo[5,4-b]pyridin-2-yl)pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC2=C(N1CCC3OCCO3)C=CC(=C2)SC4=CC(=NC=C4)F

DOS

IR

Vibrations