Geometry & MOs

Info

ID:	199836
PubChem CID:	79306114
Reduced:	BrSN3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	344.92413
ΔH_f, kcal/mol:	29.28
Dipole, Da:	2.53
IP(EA), eV:	-8.52(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-3-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-1H-imidazo[4,5-b]pyridine-2-thione

Drug info:

PubChemData

Smile

CCC(CC)(CC)N1C2=C(C=C(C=N2)Br)NC1=S

DOS

IR

Vibrations