Geometry & MOs

Info

ID:	128005
PubChem CID:	51026135
Reduced:	SN2F3O3C17H21 (1)
Stoich.:	AB2C3D3E17F21 (1)
Weight, g/mol:	411.123736
ΔH_f, kcal/mol:	-273.41
Dipole, Da:	6.86
IP(EA), eV:	-9.62(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3-chloroanilino)-2-oxoethyl] (1S,2R,3S,4S)-3-benzoylbicyclo[2.2.1]heptane-2-carboxylate

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@@H]1C[C@@H]2CC(=O)NC3=CC=C(C=C3)S(=O)(=O)NCC(F)(F)F

DOS

IR

Vibrations