Geometry & MOs

Info

ID:	127818
PubChem CID:	51017533
Reduced:	SO7C22H30 (1)
Stoich.:	AB7C22D30 (1)
Weight, g/mol:	439.108959
ΔH_f, kcal/mol:	-286.98
Dipole, Da:	5.29
IP(EA), eV:	-9.7(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1S,4R)-5-(4-methylphenyl)sulfonyl-3-phenyl-7-azabicyclo[2.2.1]hepta-2,5-diene-2,7-dicarboxylate

Drug info:

PubChemData

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C[C@@H]1[C@H]([C@@H]2CC(=O)[C@H]1[C@@](C2=C)(CCOS(=O)(=O)C3=CC=C(C=C3)C)O)COCOC

DOS

IR

Vibrations