Geometry & MOs

Info

ID:	206884
PubChem CID:	80319406
Reduced:	BrNSC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	217.069198
ΔH_f, kcal/mol:	-19.85
Dipole, Da:	2.11
IP(EA), eV:	-9.15(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(C(C1)CC2=NC(=CS2)C)Br

DOS

IR

Vibrations