Geometry & MOs

Info

ID:

225511

PubChem CID:

85852662

Reduced:

FH9C10 (3)

Stoich.:

AB9C10 (3)

Weight, g/mol:

650.30239

ΔHf, kcal/mol:

-85.78

Dipole, Da:

1.81

IP(EA), eV:

 -9.05(-0.67)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[2-[[2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=CC(=C(C(=C4)F)CCC)F)F

DOS

IR

Vibrations