Geometry & MOs

Info

ID:	132381
PubChem CID:	51352973
Reduced:	OSF3N5H18C19 (1)
Stoich.:	ABC3D5E18F19 (1)
Weight, g/mol:	513.076134
ΔH_f, kcal/mol:	-79.78
Dipole, Da:	9.7
IP(EA), eV:	-9.03(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[6-(4-chloro-3-nitrophenyl)-2-methylimidazo[2,1-b][1,3]thiazol-5-yl]-1-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CN(C)C1=C(SC=N1)C(=O)NC2=CC=C(C=C2)N3C(=CC(=N3)C(F)(F)F)C4CC4

DOS

IR

Vibrations