Geometry & MOs

Info

ID:	328458
PubChem CID:	126723124
Reduced:	NO3C15H25 (1)
Stoich.:	AB3C15D25 (1)
Weight, g/mol:	435.09066
ΔH_f, kcal/mol:	-150.29
Dipole, Da:	3.64
IP(EA), eV:	-9.92(1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[(3aS,5R,7aS)-5-(2-cyano-2-methylpropyl)-3a-(iodomethyl)-2,3,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2-yl]propanoate

Drug info:

PubChemData

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CC[C@]12C[C@@H](O[C@H]1CC[C@@H](O2)C[C@@H](C)C#N)[C@@H](C)O

DOS

IR

Vibrations