Geometry & MOs

Info

ID:	54610
PubChem CID:	17388985
Reduced:	BrOSN2C28H29 (1)
Stoich.:	ABCD2E28F29 (1)
Weight, g/mol:	452.09218
ΔH_f, kcal/mol:	57.72
Dipole, Da:	6.59
IP(EA), eV:	-8.72(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[4-(2-methylpropyl)phenyl]-N-naphthalen-1-yl-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CN1C(=CSC1=NC2=CC=C(C=C2)OC3=CC=CC=C3)C4=CC=C(C=C4)C5CCCCC5.Br

DOS

IR

Vibrations