Geometry & MOs

Info

ID:	54761
PubChem CID:	17389218
Reduced:	ClBr2N2S2H15C20 (1)
Stoich.:	AB2C2D2E15F20 (1)
Weight, g/mol:	668.82062
ΔH_f, kcal/mol:	97.02
Dipole, Da:	5.22
IP(EA), eV:	-8.56(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-[4-(5-bromothiophen-2-yl)-2-(2,5-dichlorophenyl)imino-1,3-thiazol-3-yl]ethyl]benzenesulfonamide;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C(=CSC2=NC3=CC=C(C=C3)Cl)C4=CC=C(S4)Br.Br

DOS

IR

Vibrations