Geometry & MOs

Info

ID:

383594

PubChem CID:

134975393

Reduced:

O7C30H52 (1)

Stoich.:

A7B30C52 (1)

Weight, g/mol:

482.360739

ΔHf, kcal/mol:

-397.45

Dipole, Da:

8.04

IP(EA), eV:

 -9.24(1.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(E,6R)-6-hydroxy-6-[(2R,5S)-5-[(1S)-1-(2-oxododecoxy)butyl]oxolan-2-yl]hex-2-enyl] acetate

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@@H](O1)[C@]2(CC[C@@H](O2)C(C)(C)O)C)[C@H]3CC[C@@H](O3)[C@]4(CC[C@H](O4)[C@@]5(CC[C@@H](O5)C(C)(C)O)C)C

DOS

IR

Vibrations