Geometry & MOs

Info

ID:	83681
PubChem CID:	49860053
Reduced:	BrSN4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	402.05138
ΔH_f, kcal/mol:	43.33
Dipole, Da:	2.88
IP(EA), eV:	-8.33(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-1-[4-(2-methylphenyl)-1,3-thiazol-2-yl]guanidine;hydrobromide

Drug info:

PubChemData

Smile

C1CC2=C(C3=CC=CC=C31)N=C(S2)N=C(N)N.Br

DOS

IR

Vibrations