Geometry & MOs

Info

ID:	226629
PubChem CID:	87550790
Reduced:	SF4O4N6H24C26 (1)
Stoich.:	AB4C4D6E24F26 (1)
Weight, g/mol:	394.125218
ΔH_f, kcal/mol:	-278.39
Dipole, Da:	5.77
IP(EA), eV:	-9.66(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5E)-N-(2-pyridin-4-ylphenyl)-5-(quinolin-6-ylmethylidene)-2H-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N[C@@H](CC1=CN=C(C=C1)C(F)(F)F)CN2/C(=N/C(=O)O)/SC(=N2)C3=CC4=CC(=NC=C4C=C3)F

DOS

IR

Vibrations