Geometry & MOs

Info

ID:

215512

PubChem CID:

85084845

Reduced:

N4O5C27H31 (2)

Stoich.:

A4B5C27D31 (2)

Weight, g/mol:

984.476391

ΔHf, kcal/mol:

-330.92

Dipole, Da:

12.68

IP(EA), eV:

 -8.59(-0.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C(CC1=CC=CC=C1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)NC(CC4=CC=C(C=C4)O)C(=O)N5CCCC5C(=O)NC(CO)C(=O)N)C(=O)C(CC6=CC=C(C=C6)O)N

DOS

IR

Vibrations