Geometry & MOs

Info

ID:	206885
PubChem CID:	80319407
Reduced:	ClNSC10H16 (1)
Stoich.:	ABCD10E16 (1)
Weight, g/mol:	245.100498
ΔH_f, kcal/mol:	-9.69
Dipole, Da:	1.41
IP(EA), eV:	-9.42(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(1-chloroethyl)-3-methylbutyl]-4,5-dimethyl-1,3-thiazole

Drug info:

PubChemData

Smile

CC(C)C(CC1=NC=CS1)C(C)Cl

DOS

IR

Vibrations