Geometry & MOs

Info

ID:

223305

PubChem CID:

85334835

Reduced:

I3O4C26H33 (2)

Stoich.:

A3B4C26D33 (2)

Weight, g/mol:

1579.780361

ΔHf, kcal/mol:

-304.48

Dipole, Da:

1.72

IP(EA), eV:

 -9.31(-1.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[2-[[1-[[1-[[1-[[1-[[5-amino-1-[[1-[[1-[[1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)OC(COC(=O)CCC5=C(C=C(C=C5I)I)I)COC(=O)CCC6=C(C=C(C=C6I)I)I)C)C

DOS

IR

Vibrations