Geometry & MOs

Info

ID:	264766
PubChem CID:	103489402
Reduced:	FNO4C14H20 (1)
Stoich.:	ABC4D14E20 (1)
Weight, g/mol:	236.038626
ΔH_f, kcal/mol:	-214.77
Dipole, Da:	1.27
IP(EA), eV:	-8.42(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(chloromethyl)-5-(1-ethoxypropan-2-yloxy)-1,3,4-thiadiazole

Drug info:

PubChemData

Smile

CCOCC(C)OC1=C(C=C(C(=C1)C(=O)OCC)N)F

DOS

IR

Vibrations