Geometry & MOs

Info

ID:

228294

PubChem CID:

87563836

Reduced:

SN2O5C15H16 (1)

Stoich.:

AB2C5D15E16 (1)

Weight, g/mol:

1115.755632

ΔHf, kcal/mol:

-100.31

Dipole, Da:

9.05

IP(EA), eV:

 -9.32(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[2-[(2S,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropyl-[(4R)-5-amino-4-[[(2R,3R,4S)-2-amino-3,4-di(hexadecanoyloxy)-5-hydroxy-2-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

CCCOC1=CC(=C(C=C1)C2=CC(=NO2)COS(=O)(=O)C)C#N

DOS

IR

Vibrations