Geometry & MOs

Info

ID:

215690

PubChem CID:

85085089

Reduced:

N2Cl3O22C53H63 (1)

Stoich.:

A2B3C22D53E63 (1)

Weight, g/mol:

1189.571413

ΔHf, kcal/mol:

-918.56

Dipole, Da:

2.15

IP(EA), eV:

 -9.26(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-acetamido-5-[[1-[[1-[[3-[3-acetamido-4-[3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-[[1-[[2-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(=O)NC1C(CC(OC1C(C(COC(=O)C)OC(=O)C)OC(=O)C)(C(=O)OC)OC2C(C(OC(C2OCC3=CC=CC=C3)OCC(C(=O)OCC4=CC=CC=C4)NC(=O)OCC(Cl)(Cl)Cl)COCC5=CC=CC=C5)O)OC(=O)C

DOS

IR

Vibrations