Geometry & MOs

Info

ID:	6448
PubChem CID:	68631
Reduced:	SN3O3H7C9 (1)
Stoich.:	AB3C3D7E9 (1)
Weight, g/mol:	237.020812
ΔH_f, kcal/mol:	49.48
Dipole, Da:	3.38
IP(EA), eV:	-8.68(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5-nitrofuran-2-yl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

C1CN2C(=CSC2=N1)C3=CC=C(O3)[N+](=O)[O-]

DOS

IR

Vibrations