Geometry & MOs

Info

ID:

14146

PubChem CID:

405122

Reduced:

O3C10H14 (2)

Stoich.:

A3B10C14 (2)

Weight, g/mol:

364.188589

ΔHf, kcal/mol:

-278.13

Dipole, Da:

5.45

IP(EA), eV:

 -10.1(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3aS,5S,7S,7aR)-3-methylidene-5-[(2R)-2-methyl-5-oxooxolan-2-yl]-7-[(2R)-6-oxoheptan-2-yl]-4,5,7,7a-tetrahydro-3aH-furo[2,3-c]pyran-2-one

Drug info:

PubChemData

Smile

C[C@H](CCCC(=O)C)[C@H]1[C@H]2[C@@H](C[C@H](O1)[C@]3(CCC(=O)O3)C)C(=C)C(=O)O2

DOS

IR

Vibrations