Geometry & MOs

Info

ID:

176381

PubChem CID:

76040029

Reduced:

SO3N6C23H26 (1)

Stoich.:

AB3C6D23E26 (1)

Weight, g/mol:

1688.737714

ΔHf, kcal/mol:

-32.97

Dipole, Da:

6.64

IP(EA), eV:

-8.4(-1.19)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

2-[2-[5-acetamido-6-[2-[5-acetamido-6-[2-[6-(2-formamido-3-hydroxyoctadec-4-enoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4-hydroxy-5-[(2-hydroxyacetyl)amino]-6-(1,2,3-trihydroxypropyl)oxane-2-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2C(CC1NC(=O)NC3=CC4=C(C=C3)N=CC=C4)C(NN2)C5=CC(=CC=C5)S(=O)(=O)N

DOS

IR

Vibrations