Geometry & MOs

Info

ID:	288408
PubChem CID:	104316340
Reduced:	BrO2N4C13H15 (1)
Stoich.:	AB2C4D13E15 (1)
Weight, g/mol:	367.82082
ΔH_f, kcal/mol:	-10.7
Dipole, Da:	7.38
IP(EA), eV:	-9.63(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(chloromethyl)-2-(3,5-dibromopyridin-2-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

COCCNCC1=CC(=O)N=C(N1)C2=NC=C(C=C2)Br

DOS

IR

Vibrations