Geometry & MOs

Info

ID:

442653

PubChem CID:

135253646

Reduced:

O7C31H40 (1)

Stoich.:

A7B31C40 (1)

Weight, g/mol:

1376.626816

ΔHf, kcal/mol:

-267.92

Dipole, Da:

4.66

IP(EA), eV:

 -8.85(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[5-[(2S,4R)-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[[(2S,4R)-1-[5-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypentanoyl]-4-[(2-methylpropan-2-yl)oxy]pyrrolidin-2-yl]methoxyphosphanyloxy]pyrrolidin-2-yl]methoxyphosphanyloxy]-2-(hydroxymethyl)pyrrolidin-1-yl]-5-oxopentoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

Drug info:

PubChemData

Smile

CCCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)OCCOC(=O)C(=C)C)CCCO)OCCOC(=O)C(=C)C

DOS

IR

Vibrations