Geometry & MOs

Info

ID:	194179
PubChem CID:	78494704
Reduced:	ClNO5H14C17 (1)
Stoich.:	ABC5D14E17 (1)
Weight, g/mol:	409.02879
ΔH_f, kcal/mol:	-56.65
Dipole, Da:	8.18
IP(EA), eV:	-8.86(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C=CC(=O)C2=CC(=CC=C2)[N+](=O)[O-])Cl)OC

DOS

IR

Vibrations