Geometry & MOs

Info

ID:

169127

PubChem CID:

75067539

Reduced:

N2O2C11H12 (2)

Stoich.:

A2B2C11D12 (2)

Weight, g/mol:

877.454533

ΔHf, kcal/mol:

-35.06

Dipole, Da:

3.39

IP(EA), eV:

 -8.56(-1.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[[2-[2-[2-[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-methylbutanoyl]amino]propanoylamino]propanoylamino]propanoylamino]-3-methylbutanoyl]amino]propanoylamino]-4-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C=CC3=CC=CC(=N3)C=CC(=O)NO

DOS

IR

Vibrations