Geometry & MOs

Info

ID:	128006
PubChem CID:	51026136
Reduced:	ClNO4H22C23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	411.123736
ΔH_f, kcal/mol:	-120.54
Dipole, Da:	6.24
IP(EA), eV:	-9.17(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C[C@H]2C[C@H]1[C@@H]([C@@H]2C(=O)OCC(=O)NC3=CC(=CC=C3)Cl)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations