Geometry & MOs

Info

ID:

223313

PubChem CID:

85334843

Reduced:

N3I5O8C60H86 (1)

Stoich.:

A3B5C8D60E86 (1)

Weight, g/mol:

1613.86245

ΔHf, kcal/mol:

-364.83

Dipole, Da:

5.59

IP(EA), eV:

 -8.45(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[2-[[6-amino-2-[[2-[[2-[[2-[[5-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]acetyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoylamino]acetyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)OC(COC(=O)CCCCCCC5=C(C(=C(C=C5I)I)N)I)COC(=O)CCCCCCC6=C(C=C(C(=C6I)N)N)I)C)C

DOS

IR

Vibrations