Geometry & MOs

Info

ID:	284351
PubChem CID:	104045824
Reduced:	BrNSO6C12H16 (1)
Stoich.:	ABCD6E12F16 (1)
Weight, g/mol:	242.994319
ΔH_f, kcal/mol:	-223.9
Dipole, Da:	4.53
IP(EA), eV:	-10.0(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-chloropropyl)-2-thiophen-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

CC1CC(CC(O1)C)OC(=O)C2=CC(=C(O2)Br)S(=O)(=O)N

DOS

IR

Vibrations