Geometry & MOs

Info

ID:

223065

PubChem CID:

85334390

Reduced:

N15O18C44H73 (1)

Stoich.:

A15B18C44D73 (1)

Weight, g/mol:

1101.727401

ΔHf, kcal/mol:

-854.95

Dipole, Da:

5.48

IP(EA), eV:

 -9.65(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CCCN=C(N)N)C(=O)NC(CC(=O)N)C(=O)NC(CCC(=O)O)C(=O)O)N

DOS

IR

Vibrations