Geometry & MOs

Info

ID:	54522
PubChem CID:	17388814
Reduced:	OSN3H4C7F7 (1)
Stoich.:	ABC3D4E7F7 (1)
Weight, g/mol:	429.114713
ΔH_f, kcal/mol:	-347.79
Dipole, Da:	2.85
IP(EA), eV:	-10.24(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2E)-5-amino-2-benzylidene-8-cyano-3-oxo-7-phenyl-7H-[1,3]thiazolo[3,2-a]pyridine-6-carboxylate

Drug info:

PubChemData

Smile

CC(=O)NC1=NN=C(S1)C(C(C(F)(F)F)(F)F)(F)F

DOS

IR

Vibrations