Geometry & MOs

Info

ID:	208998
PubChem CID:	80610886
Reduced:	SCl2N3O3H5C9 (1)
Stoich.:	AB2C3D3E5F9 (1)
Weight, g/mol:	274.995382
ΔH_f, kcal/mol:	32.17
Dipole, Da:	2.38
IP(EA), eV:	-10.11(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])Cl)OCC2=NN=C(S2)Cl

DOS

IR

Vibrations