Geometry & MOs

Info

ID:	284365
PubChem CID:	104045854
Reduced:	BrClSN2H12C15 (1)
Stoich.:	ABCD2E12F15 (1)
Weight, g/mol:	307.028991
ΔH_f, kcal/mol:	60.36
Dipole, Da:	3.83
IP(EA), eV:	-8.93(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropyl)-2-(3-ethyl-1,4-dithian-2-yl)-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C(C(=N2)C3=NC(=CS3)CCCCl)Br

DOS

IR

Vibrations