Geometry & MOs

Info

ID:

84523

PubChem CID:

49867256

Reduced:

SN2O9C16H26 (1)

Stoich.:

AB2C9D16E26 (1)

Weight, g/mol:

774.48779

ΔHf, kcal/mol:

-404.64

Dipole, Da:

6.57

IP(EA), eV:

 -10.45(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S)-1-[(2S,3R,4S,5R,6R)-4-[(2S,3R,4S,5R,6R)-3-acetamido-5-amino-4-hydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3-heptanoyloxypropan-2-yl] (Z)-pentadec-7-enoate

Drug info:

PubChemData

Smile

C(CCN=C(CCC(=O)O)CS(=O)(=O)CC(=O)CCC(=O)O)C[C@@H](C(=O)O)N

DOS

IR

Vibrations