Geometry & MOs

Info

ID:

47369

PubChem CID:

10531957

Reduced:

O5N6C34H50 (1)

Stoich.:

A5B6C34D50 (1)

Weight, g/mol:

622.480854

ΔHf, kcal/mol:

-225.26

Dipole, Da:

8.22

IP(EA), eV:

 -9.19(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[9-[(2S,5S)-5-[(1S,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-2-methyl-2H-furan-5-one

Drug info:

PubChemData

Smile

CCCC[C@H](C(=O)OC)NC(=O)[C@@H](CC1=C(NC2=CC=CC=C21)C#N)NC(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C

DOS

IR

Vibrations