Geometry & MOs

Info

ID:

26308

PubChem CID:

643968

Reduced:

FN2O5C9H11 (1)

Stoich.:

AB2C5D9E11 (1)

Weight, g/mol:

3494.693603

ΔHf, kcal/mol:

-253.13

Dipole, Da:

3.55

IP(EA), eV:

-10.15(-1.02)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

(2S,4R)-2-[(2R,3R,4R,5R,6S)-3-acetamido-2-[(2S,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-3-acetamido-2-[(2S,3R,4R,5R,6S)-6-[(2R,3R,4R,5R,6S)-3-acetamido-2-[(2S,3R,4R,5R,6S)-6-[(2R,3R,5R,6S)-3-acetamido-2-[(2S,3R,4R,5R,6S)-6-[(3R,4R,5R,6S)-3-acetamido-2-hydroxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-2-carboxy-4,5-disulfooxyoxan-3-yl]oxy-5-sulfooxy-6-(sulfooxymethyl)oxan-4-yl]oxy-3,4-disulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

C1[C@@H]([C@H](OC1N2C=C(C(=O)NC2=O)F)CO)O

DOS

IR

Vibrations