Geometry & MOs

Info

ID:

215668

PubChem CID:

85085054

Reduced:

N7O9C68H97 (1)

Stoich.:

A7B9C68D97 (1)

Weight, g/mol:

1158.27438

ΔHf, kcal/mol:

-426.22

Dipole, Da:

8.96

IP(EA), eV:

 -8.31(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-amino-3-(4-hydroxy-3,5-diiodophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)C(CC(C)C)NC(=O)C(CC5=CC=CC=C5)NC(=O)CNC(=O)C(C)NC(=O)C(CC6=CC=C(C=C6)O)NC(=O)C7CCCN7C(=O)C8=CN(C=CC8)C)C)C

DOS

IR

Vibrations