Geometry & MOs

Info

ID:

223239

PubChem CID:

85334732

Reduced:

SN11O14C69H117 (1)

Stoich.:

AB11C14D69E117 (1)

Weight, g/mol:

1356.205322

ΔHf, kcal/mol:

-717.0

Dipole, Da:

5.19

IP(EA), eV:

 -9.11(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[acetyloxymethoxy-[3-[acetyloxymethoxy(hydroxy)phosphoryl]oxy-2,5,6-tris[bis(acetyloxymethoxy)phosphoryloxy]-4-butoxy-3-propylcyclohexyl]oxyphosphoryl]oxymethoxymethyl acetate

Drug info:

PubChemData

Smile

CCC(C(=O)N(C)CC(=O)N(C)C(CC(C)C)C(=O)NC(C(C)C)C(=O)N(C)C(CC(C)C)C(=O)NC(C)C(=O)NC(C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(CC(C)C)C(=O)N(C)C(C(C)C)C(=O)O)NC(=O)C(C(C(C)CC=CC(=O)SCC1=CC=CC=C1)O)NC

DOS

IR

Vibrations