Geometry & MOs

Info

ID:

221539

PubChem CID:

85279272

Reduced:

SiO5C27H46 (2)

Stoich.:

AB5C27D46 (2)

Weight, g/mol:

965.558604

ΔHf, kcal/mol:

-614.86

Dipole, Da:

5.66

IP(EA), eV:

 -8.61(0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[3-[[1-[[2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-methylbutyl]amino]-3-oxopropanoyl]amino]-3-phenylpropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1CC2(CCC3C2(CC(O3)CCCOC(=O)C(C)(C)C)C)OC(C1=C)CC4C(C(C5C(O4)CC(C(O5)CCO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C)OCC6=CC=C(C=C6)OC

DOS

IR

Vibrations