Geometry & MOs

Info

ID:	54425
PubChem CID:	17388655
Reduced:	Br3N3C14H20 (1)
Stoich.:	A3B3C14D20 (1)
Weight, g/mol:	582.15013
ΔH_f, kcal/mol:	54.65
Dipole, Da:	18.13
IP(EA), eV:	-8.03(-2.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5-dihydro-1,3-thiazol-2-amine;4-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]anilino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC=[N+](C=C1)CCNCC[N+]2=CC=CC=C2.Br.[Br-].[Br-]

DOS

IR

Vibrations