Geometry & MOs

Info

ID:

322533

PubChem CID:

126670418

Reduced:

ClO3N4H17C18 (1)

Stoich.:

AB3C4D17E18 (1)

Weight, g/mol:

1451.711714

ΔHf, kcal/mol:

-34.72

Dipole, Da:

8.97

IP(EA), eV:

 -8.97(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-bis[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-N-[(3S)-7-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-2-oxoheptan-3-yl]hexanamide

Drug info:

PubChemData

Smile

C/C(=C\C=C(/N=C)\OC1=CC(=C(C=C1)C#N)Cl)/N2C(=O)C(NC2=O)(C)C

DOS

IR

Vibrations