Geometry & MOs

Info

ID:	54763
PubChem CID:	17389221
Reduced:	BrClN2S2H12C14 (1)
Stoich.:	ABC2D2E12F14 (1)
Weight, g/mol:	479.91354
ΔH_f, kcal/mol:	51.72
Dipole, Da:	3.25
IP(EA), eV:	-8.73(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloro-2,5-dimethoxyphenyl)-4-(5-chlorothiophen-2-yl)-3-methyl-1,3-thiazol-2-imine;hydrobromide

Drug info:

PubChemData

Smile

CN1C(=CSC1=NC2=CC=CC=C2)C3=CC=C(S3)Cl.Br

DOS

IR

Vibrations