Geometry & MOs

Info

ID:	206886
PubChem CID:	80319504
Reduced:	ClNSC12H20 (1)
Stoich.:	ABCD12E20 (1)
Weight, g/mol:	317.08128
ΔH_f, kcal/mol:	-31.17
Dipole, Da:	3.29
IP(EA), eV:	-9.07(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-bromoethyl)-3-methylbutyl]-4-tert-butyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C(C)C)C(C)Cl)C

DOS

IR

Vibrations