Geometry & MOs

Info

ID:

222699

PubChem CID:

85327679

Reduced:

FNO11C27H28 (1)

Stoich.:

ABC11D27E28 (1)

Weight, g/mol:

713.38606

ΔHf, kcal/mol:

-452.93

Dipole, Da:

5.22

IP(EA), eV:

 -9.25(-2.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[[4-amino-2-[[2-[[2-[(2-amino-3-phenylpropanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoylamino]-3-(1H-imidazol-5-yl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1C(=O)C3=C(C4=C(CC(CC4OC5CC(C(C(O5)CF)O)N)(C(=O)CO)O)C(=C3C2=O)O)O

DOS

IR

Vibrations