Geometry & MOs

Info

ID:

223315

PubChem CID:

85334845

Reduced:

N2I6O8C53H70 (1)

Stoich.:

A2B6C8D53E70 (1)

Weight, g/mol:

1641.122175

ΔHf, kcal/mol:

-340.7

Dipole, Da:

7.91

IP(EA), eV:

 -8.27(-1.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2,6-diamino-N-[1-[[6-amino-1-[[1-[[1-[[1-[[6-amino-1-[[6-amino-1-[[1-[[1-[[6-amino-1-[[1-[(1-amino-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations