Geometry & MOs

Info

ID:	284925
PubChem CID:	104083715
Reduced:	BrN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	246.005218
ΔH_f, kcal/mol:	-63.57
Dipole, Da:	7.79
IP(EA), eV:	-10.36(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-chloropropylsulfanylmethyl)imidazo[2,1-b][1,3]thiazole

Drug info:

PubChemData

Smile

C1CCC(CC1)N2C(=C(C=N2)C(=O)O)Br

DOS

IR

Vibrations