Geometry & MOs

Info

ID:	56451
PubChem CID:	17425494
Reduced:	BrSO3N4H15C17 (1)
Stoich.:	ABC3D4E15F17 (1)
Weight, g/mol:	326.072513
ΔH_f, kcal/mol:	-56.98
Dipole, Da:	2.81
IP(EA), eV:	-9.14(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(1,3-benzodioxol-5-yl)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)CN2C=NC3=C(C2=O)C=CS3

DOS

IR

Vibrations