Geometry & MOs

Info

ID:

181621

PubChem CID:

76766988

Reduced:

N11O17C73H127 (1)

Stoich.:

A11B17C73D127 (1)

Weight, g/mol:

1993.299601

ΔHf, kcal/mol:

-836.52

Dipole, Da:

2.22

IP(EA), eV:

 -8.6(-0.92)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[4-carboxy-1-[[1-[[6-[3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-1-(4-methylpiperazin-1-yl)-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-(icosanoylamino)-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)NCCCCCC(=O)NC(C(C)CC)C(=O)NC(CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)N1CCN(CC1)C2=CC3=C(C=C2)N=CN(C3=O)CC(=O)NC(CCCNC(=O)N)C(=O)C

DOS

IR

Vibrations