Geometry & MOs

Info

ID:	54807
PubChem CID:	17389315
Reduced:	BrISN2F3H11C16 (1)
Stoich.:	ABCD2E3F11G16 (1)
Weight, g/mol:	546.95574
ΔH_f, kcal/mol:	-81.31
Dipole, Da:	1.26
IP(EA), eV:	-8.8(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-4-(4-piperidin-1-ylsulfonylphenyl)-1,3-thiazol-2-amine;hydrobromide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)NC2=NC(=CS2)C3=CC=C(C=C3)I)C(F)(F)F.Br

DOS

IR

Vibrations