Geometry & MOs

Info

ID:	406104
PubChem CID:	135076579
Reduced:	ClO4C17H19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	291.072928
ΔH_f, kcal/mol:	-139.01
Dipole, Da:	1.74
IP(EA), eV:	-9.64(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(NZ)-N-[1-(2-fluorophenyl)ethylidene]-4-methylbenzenesulfonamide

Drug info:

PubChemData

Smile

CC1([C@@H]([C@H]1C(=O)OC)/C=C(/C(=O)OCC2=CC=CC=C2)\Cl)C

DOS

IR

Vibrations