Geometry & MOs

Info

ID:

225219

PubChem CID:

85747971

Reduced:

O2C17H22 (1)

Stoich.:

A2B17C22 (1)

Weight, g/mol:

663.34392

ΔHf, kcal/mol:

-42.41

Dipole, Da:

1.33

IP(EA), eV:

 -8.54(0.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C=C1)OC2CCCCO2)C#C

DOS

IR

Vibrations