Geometry & MOs

Info

ID:	171992
PubChem CID:	75450772
Reduced:	OSF3N3H8C12 (1)
Stoich.:	ABC3D3E8F12 (1)
Weight, g/mol:	391.044919
ΔH_f, kcal/mol:	-97.73
Dipole, Da:	8.79
IP(EA), eV:	-9.44(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-phenyl-2-[(E)-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethenyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NN=C(O1)CSC2=CC(=C(C=C2)C#N)C(F)(F)F

DOS

IR

Vibrations