Geometry & MOs

Info

ID:	54758
PubChem CID:	17389211
Reduced:	BrCl2N2S2H17C24 (1)
Stoich.:	AB2C2D2E17F24 (1)
Weight, g/mol:	511.96063
ΔH_f, kcal/mol:	101.57
Dipole, Da:	1.96
IP(EA), eV:	-8.4(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(5-chlorothiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]imino-1,3-thiazol-3-yl]butan-1-ol;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2N=C3N(C(=CS3)C4=CC=C(S4)Cl)CC5=CC=C(C=C5)Cl.Br

DOS

IR

Vibrations