Geometry & MOs

Info

ID:

223285

PubChem CID:

85334797

Reduced:

O14N17C72H129 (1)

Stoich.:

A14B17C72D129 (1)

Weight, g/mol:

1455.990492

ΔHf, kcal/mol:

-699.31

Dipole, Da:

18.17

IP(EA), eV:

 -8.36(-2.6)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[6-amino-2-[[6-amino-2-[2-[2-[[2-[[6-amino-2-[[2-[[2-[[6-amino-2-[2-[(2-amino-3-phenylpropanoyl)amino]propanoylamino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]propanoylamino]propanoylamino]hexanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CC1=CC=CC=C1)N

DOS

IR

Vibrations