Geometry & MOs

Info

ID:

215507

PubChem CID:

85084839

Reduced:

PSiO12C54H75 (1)

Stoich.:

ABC12D54E75 (1)

Weight, g/mol:

976.559333

ΔHf, kcal/mol:

-572.78

Dipole, Da:

4.61

IP(EA), eV:

 -9.0(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[2-[(2-amino-4-methylpentanoyl)amino]propanoylamino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CCCCCC(=O)OCC(COP(=O)(OCC[Si](C)(C)C)OC1CC(C(C(C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)OCC4=CC=CC=C4)OCC5=CC=CC=C5)OC(=O)CCCCC

DOS

IR

Vibrations