Geometry & MOs

Info

ID:

383470

PubChem CID:

134975212

Reduced:

O7C33H58 (1)

Stoich.:

A7B33C58 (1)

Weight, g/mol:

578.418254

ΔHf, kcal/mol:

-400.21

Dipole, Da:

10.65

IP(EA), eV:

 -9.54(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-4-[(2R)-2-hydroxy-4-[(2S,5R)-5-[(2R,5R)-5-[(2R,5R)-5-[(1R)-1-hydroxytridecyl]oxolan-2-yl]oxolan-2-yl]oxolan-2-yl]butyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCCCCCCCCCC[C@H]([C@H]1CC[C@@H](O1)[C@H]2CCC[C@H](O2)[C@H](CCC[C@H](CC3=C[C@@H](OC3=O)C)O)O)O

DOS

IR

Vibrations