Geometry & MOs

Info

ID:	54757
PubChem CID:	17389210
Reduced:	BrOCl2N2S2H19C22 (1)
Stoich.:	ABC2D2E2F19G22 (1)
Weight, g/mol:	545.93936
ΔH_f, kcal/mol:	34.07
Dipole, Da:	4.34
IP(EA), eV:	-8.3(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-chlorophenyl)methyl]-4-(5-chlorothiophen-2-yl)-N-naphthalen-1-yl-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)N=C2N(C(=CS2)C3=CC=C(S3)Cl)CC4=CC=C(C=C4)Cl.Br

DOS

IR

Vibrations