Geometry & MOs

Info

ID:

441011

PubChem CID:

135232699

Reduced:

SN4O24C46H80 (1)

Stoich.:

AB4C24D46E80 (1)

Weight, g/mol:

1089.433642

ΔHf, kcal/mol:

-1133.53

Dipole, Da:

7.61

IP(EA), eV:

 -9.54(-1.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-6-[5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-5-[acetyl(methyl)amino]-3,4-dihydroxyoxan-2-yl]methyl acetate

Drug info:

PubChemData

Smile

CCCCCC/C=C\CCCCCCCC(=O)NC1[C@H](C(C(OC1OC2[C@@H](C(C(OC2CO)OC3[C@@H](C(C(OC3CO)OC4[C@@H](C(C(OC4COS(=O)(=O)O)O)NC(=O)C)O)NC(=O)C)O)NC(=O)C)O)CO)O)O

DOS

IR

Vibrations