Geometry & MOs

Info

ID:

309427

PubChem CID:

126546201

Reduced:

N2S2O3C14H24 (1)

Stoich.:

A2B2C3D14E24 (1)

Weight, g/mol:

1918.400544

ΔHf, kcal/mol:

-164.76

Dipole, Da:

6.28

IP(EA), eV:

-8.33(-0.67)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

3-[3-[2-[[4-decoxy-2-(3-hydroxybutoxy)butoxy]methyl]-3-[2-[2-[2-decoxy-4-[(2R)-2-hydroxypropoxy]butoxy]-3-[2-(2-decoxy-3-hydroxypropoxy)-3-[2-hydroxy-3-(2-hydroxypropoxy)propoxy]propoxy]propoxy]-3-hydroxypropoxy]-2-methylpropoxy]-2-[3-(2-decoxy-3-hydroxypropoxy)-2-[2-hydroxy-3-[2-hydroxy-3-[(2S)-2-hydroxypropoxy]propoxy]propoxy]propoxy]propoxy]propane-1,2-diol

Drug info:

PubChemData

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CC(C)SCCCC(=O)NCCN1C(=O)CC(C1=O)SC

DOS

IR

Vibrations