Geometry & MOs

Info

ID:	127981
PubChem CID:	51025529
Reduced:	SO4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	373.167794
ΔH_f, kcal/mol:	-145.81
Dipole, Da:	2.97
IP(EA), eV:	-9.31(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (1R,2E,4E,5R)-2,4-dibenzylidene-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H]2C=C[C@@]([C@H]2CCOS(=O)(=O)C3=CC=C(C=C3)C)(C1=O)C

DOS

IR

Vibrations