Geometry & MOs

Info

ID:	430630
PubChem CID:	135170696
Reduced:	NO3C11H17 (1)
Stoich.:	AB3C11D17 (1)
Weight, g/mol:	243.99519
ΔH_f, kcal/mol:	-134.22
Dipole, Da:	4.34
IP(EA), eV:	-9.74(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-3-[2-(trifluoromethoxy)ethylsulfanyl]-1,2,4-thiadiazole

Drug info:

PubChemData

Smile

CCC(=O)OC1C(=CC(=O)N1C)C(C)C

DOS

IR

Vibrations