Geometry & MOs

Info

ID:	249461
PubChem CID:	103089634
Reduced:	FNSO2Cl3C12H13 (1)
Stoich.:	ABCD2E3F12G13 (1)
Weight, g/mol:	201.093583
ΔH_f, kcal/mol:	-137.82
Dipole, Da:	2.99
IP(EA), eV:	-10.13(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-methyl-1,2,4-oxadiazol-3-yl)-4-methylsulfanylbutan-1-amine

Drug info:

PubChemData

Smile

C1CCC(C1)(CCl)NS(=O)(=O)C2=C(C(=C(C=C2)Cl)F)Cl

DOS

IR

Vibrations