Geometry & MOs

Info

ID:	127494
PubChem CID:	51004214
Reduced:	OSC13H16 (1)
Stoich.:	ABC13D16 (1)
Weight, g/mol:	323.136887
ΔH_f, kcal/mol:	-36.27
Dipole, Da:	2.51
IP(EA), eV:	-8.63(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-O-tert-butyl 2-O-methyl (1R,3E,4R)-3-(2-methoxy-2-oxoethylidene)-7-azabicyclo[2.2.1]hept-5-ene-2,7-dicarboxylate

Drug info:

PubChemData

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C[C@@]12C3=CC=CC=C3[C@H](O1)C(CS2)(C)C

DOS

IR

Vibrations