Geometry & MOs

Info

ID:	176711
PubChem CID:	76085031
Reduced:	ClON4C13H17 (1)
Stoich.:	ABC4D13E17 (1)
Weight, g/mol:	427.27563
ΔH_f, kcal/mol:	-15.93
Dipole, Da:	4.04
IP(EA), eV:	-8.82(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[3-(hexylsulfinylmethyl)-7-oxabicyclo[2.2.1]heptan-2-yl]-N-hydroxy-N,2,2-trimethylhept-5-enamide

Drug info:

PubChemData

Smile

CN1CC(C(C1)C(=O)N=C(N)N)C2=CC=CC=C2Cl

DOS

IR

Vibrations