Geometry & MOs

Info

ID:	295639
PubChem CID:	117540976
Reduced:	BrSN2O2C12H13 (1)
Stoich.:	ABC2D2E12F13 (1)
Weight, g/mol:	288.02958
ΔH_f, kcal/mol:	-12.06
Dipole, Da:	2.39
IP(EA), eV:	-8.15(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2-cyclohexylethyl)-1,3-thiazol-2-amine

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CC2=C(SC(=N2)N)Br)OC

DOS

IR

Vibrations