Geometry & MOs

Info

ID:	206882
PubChem CID:	80319404
Reduced:	BrNSC12H18 (1)
Stoich.:	ABCD12E18 (1)
Weight, g/mol:	301.04998
ΔH_f, kcal/mol:	-13.45
Dipole, Da:	2.14
IP(EA), eV:	-9.09(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-bromo-5-propylcyclohexyl)methyl]-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC2CCCCC2Br)C

DOS

IR

Vibrations