Geometry & MOs

Info

ID:

315108

PubChem CID:

126624454

Reduced:

N8O47C94H168 (1)

Stoich.:

A8B47C94D168 (1)

Weight, g/mol:

642.274369

ΔHf, kcal/mol:

-2193.63

Dipole, Da:

6.11

IP(EA), eV:

 -8.9(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[2-[2-[3-[2-(acetyloxymethyl)-3-methoxy-2-methylpropanoyl]oxypropylsulfanyl]ethoxy]ethoxy]ethylsulfanyl]propyl 2-(acetyloxymethyl)-3-methoxy-2-methylpropanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(COC(=O)OCC(C)C)COC(=O)OCC(C)(COC(=O)OCC(C)(CO)C(=O)OCC(CNCCOCCOCCN)O)C(=O)OCC(CNCCOCCOCCNCC(COC(=O)C(C)(COC(=O)OCC(C)(CO)C(=O)OCC(CNCCOCCOCCNCCC(C(=O)OC(C)(C)C)NC(=O)C(C)NC(=O)OC(C)(C)C)O)COC(=O)OCC(C)(COC(=O)OCC(C)C)C(=O)OCC)O)O

DOS

IR

Vibrations