Geometry & MOs

Info

ID:	127525
PubChem CID:	51004907
Reduced:	NOC3H6 (2)
Stoich.:	ABC3D6 (2)
Weight, g/mol:	320.071845
ΔH_f, kcal/mol:	-79.44
Dipole, Da:	3.02
IP(EA), eV:	-9.28(1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (1R,8S)-1-methyl-8-methylsulfanyl-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-9,10-dicarboxylate

Drug info:

PubChemData

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C1[C@@H]([C@@H]2[C@@H]([C@H]([C@H]1N2)O)O)N

DOS

IR

Vibrations