Geometry & MOs

Info

ID:	23366
PubChem CID:	603215
Reduced:	BrON2S2H9C14 (1)
Stoich.:	ABC2D2E9F14 (1)
Weight, g/mol:	363.93397
ΔH_f, kcal/mol:	61.1
Dipole, Da:	3.16
IP(EA), eV:	-9.19(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-bromophenyl)-2-([1,3]thiazolo[5,4-b]pyridin-2-ylsulfanyl)ethanone

Drug info:

PubChemData

Smile

C1=CC2=C(N=C1)SC(=N2)SCC(=O)C3=CC=C(C=C3)Br

DOS

IR

Vibrations