Geometry & MOs

Info

ID:

215372

PubChem CID:

85084635

Reduced:

NO11C49H77 (1)

Stoich.:

AB11C49D77 (1)

Weight, g/mol:

856.429047

ΔHf, kcal/mol:

-512.73

Dipole, Da:

2.46

IP(EA), eV:

 -8.54(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[2-[[1-[2-[[2-[[4-amino-1-[(1-carboxy-2-methylpropyl)amino]-1,4-dioxobutan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)OC12C3C(CC(C3OC(=O)C4=CC=CC=C4)(C(C1O)OC)O)C56C(CC(C7(C5C(C2C6N(C7)C)OC)COC)O)OC

DOS

IR

Vibrations