Geometry & MOs

Info

ID:	208996
PubChem CID:	80610680
Reduced:	ClSN3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	267.176919
ΔH_f, kcal/mol:	61.63
Dipole, Da:	5.3
IP(EA), eV:	-8.67(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclooctyl-N-(2-methylpropyl)-1,2,4-thiadiazol-5-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1)N(C)CC2=NN=C(S2)Cl)C

DOS

IR

Vibrations