Geometry & MOs

Info

ID:	173237
PubChem CID:	75611624
Reduced:	BrIN3O3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	451.067674
ΔH_f, kcal/mol:	-40.27
Dipole, Da:	0.98
IP(EA), eV:	-9.07(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-N-[1-(4-chlorophenyl)propylideneamino]-5-phenyl-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)OCC(=O)NN=C(C)CC(=O)NC2=CC=C(C=C2)I

DOS

IR

Vibrations