Geometry & MOs

Info

ID:	54753
PubChem CID:	17389205
Reduced:	BrClON2S2C18H20 (1)
Stoich.:	ABCD2E2F18G20 (1)
Weight, g/mol:	463.97833
ΔH_f, kcal/mol:	9.7
Dipole, Da:	3.58
IP(EA), eV:	-8.18(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chlorothiophen-2-yl)-N-naphthalen-1-yl-3-propyl-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CCCN1C(=CSC1=NC2=CC=C(C=C2)OCC)C3=CC=C(S3)Cl.Br

DOS

IR

Vibrations