Geometry & MOs

Info

ID:

318914

PubChem CID:

126653710

Reduced:

IN3O3H12C14 (1)

Stoich.:

AB3C3D12E14 (1)

Weight, g/mol:

1542.899456

ΔHf, kcal/mol:

-20.34

Dipole, Da:

5.91

IP(EA), eV:

 -9.06(-1.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[6-[[2-[2-[2-[2-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]-1-(heptylamino)-1-oxohexan-2-yl]-2,6-bis[[2-[2-[2-[2-[(2R,3R,4S,5R,6S)-3-acetamido-6-(hydroxymethyl)-4,5-dimethyloxan-2-yl]oxyethoxy]ethoxy]ethoxy]acetyl]amino]hexanamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=O)C=CC1=NNC2=CC(=C(C=C2)I)O

DOS

IR

Vibrations