Geometry & MOs

Info

ID:

223710

PubChem CID:

85335458

Reduced:

ClN6O6C22H25 (1)

Stoich.:

AB6C6D22E25 (1)

Weight, g/mol:

505.238392

ΔHf, kcal/mol:

-58.31

Dipole, Da:

6.42

IP(EA), eV:

 -9.16(-1.36)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[2-[(2-amino-3-carboxypropanoyl)amino]propanoylamino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(CC3=NN(N=N3)C)C4=CC(=CC=C4)Cl)O)C(OC)OC

DOS

IR

Vibrations