Geometry & MOs

Info

ID:	202457
PubChem CID:	79674449
Reduced:	ClN3O3C12H12 (1)
Stoich.:	AB3C3D12E12 (1)
Weight, g/mol:	286.025957
ΔH_f, kcal/mol:	2.27
Dipole, Da:	3.38
IP(EA), eV:	-9.46(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-cyanomorpholin-4-yl)sulfonylfuran-2-carboxylic acid

Drug info:

PubChemData

Smile

C1COC(CN1CC2=C(C=CC=C2Cl)[N+](=O)[O-])C#N

DOS

IR

Vibrations