Geometry & MOs

Info

ID:

188854

PubChem CID:

77774492

Reduced:

SF3N3O6C26H30 (1)

Stoich.:

AB3C3D6E26F30 (1)

Weight, g/mol:

861.448385

ΔHf, kcal/mol:

-316.55

Dipole, Da:

3.89

IP(EA), eV:

 -9.07(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[1-[(1-amino-1,2-dioxoheptan-3-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]amino]-3-(2-methylphenyl)-1-oxopropan-2-yl]amino]-4-[[2-(3-carboxypropanoylamino)-3-hydroxypropanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(CN(C(C#N)C(C)(C)CC)S(=O)(=O)C1=CC2=C(C=C1)OCO2)C3=C(C(=CC=C3)N)OC(=O)C(F)(F)F

DOS

IR

Vibrations