Geometry & MOs

Info

ID:	54755
PubChem CID:	17389207
Reduced:	BrCl2N2S2C17H17 (1)
Stoich.:	AB2C2D2E17F17 (1)
Weight, g/mol:	491.97325
ΔH_f, kcal/mol:	41.15
Dipole, Da:	4.97
IP(EA), eV:	-8.43(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations