Geometry & MOs

Info

ID:	226316
PubChem CID:	87350402
Reduced:	TcC6O6H12 (1)
Stoich.:	AB6C6D12 (1)
Weight, g/mol:	674.012
ΔH_f, kcal/mol:	-81.15
Dipole, Da:	3.11
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 2.737079
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[(E)-[4-[3-[[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]sulfamoyl]-4-methoxyphenoxy]-3,5-dibromophenyl]methylideneamino]oxypropanoate

Drug info:

PubChemData

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C([C@H]([C@H]([C@@H]([C@H](C=O)O)O)O)O)O.[Tc]

DOS

IR

Vibrations