Geometry & MOs

Info

ID:	25652
PubChem CID:	627909
Reduced:	NSBr2H5C8 (1)
Stoich.:	ABC2D5E8 (1)
Weight, g/mol:	338.079038
ΔH_f, kcal/mol:	50.18
Dipole, Da:	4.1
IP(EA), eV:	-8.57(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1,3-benzodioxol-5-yl)-3-(4-methoxy-1-benzofuran-5-yl)propane-1,3-dione

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1N)SC(=C2Br)Br

DOS

IR

Vibrations