Geometry & MOs

Info

ID:

1806

PubChem CID:

5093

Reduced:

N6O13C43H78 (1)

Stoich.:

A6B13C43D78 (1)

Weight, g/mol:

886.562687

ΔHf, kcal/mol:

-712.84

Dipole, Da:

3.22

IP(EA), eV:

 -9.87(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[4-[2-[2-[3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxypropanoylamino]propanoylamino]-5-amino-5-oxopentanoyl]amino]-6-(octadecanoylamino)hexanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCC(C(=O)N)NC(=O)C(C)NC(=O)C(C)OC1C(C(OC(C1O)CO)O)NC(=O)C

DOS

IR

Vibrations