Geometry & MOs

Info

ID:	178559
PubChem CID:	76348561
Reduced:	FN3O3C25H30 (1)
Stoich.:	AB3C3D25E30 (1)
Weight, g/mol:	416.016846
ΔH_f, kcal/mol:	-119.94
Dipole, Da:	5.6
IP(EA), eV:	-8.85(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)-N-[2-(1,3-thiazol-4-ylmethoxy)phenyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCOC(=O)C=CC1=CC=C(C=C1)NC(=O)CN2CCCN(CC2)CC3=CC=CC=C3F

DOS

IR

Vibrations