Geometry & MOs

Info

ID:

176093

PubChem CID:

75995003

Reduced:

SiN3O10C48H61 (1)

Stoich.:

AB3C10D48E61 (1)

Weight, g/mol:

821.324763

ΔHf, kcal/mol:

-343.99

Dipole, Da:

12.39

IP(EA), eV:

 -8.52(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[4-amino-5-oxo-5-[[2-oxo-2-[(2-oxo-1-phenylmethoxypiperidin-3-yl)amino]ethyl]amino]pentyl]-2,3-bis(phenylmethoxy)benzamide;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCNCC1=CC2=C(C=C1)C(=C3CC4CC5C(C6=C(C(=O)C5(C(=O)C4=C(C3=C2OC(=O)OC(C)(C)C)O)O[Si](C)(C)C(C)(C)C)C(=NO6)OCC7=CC=CC=C7)N(C)C)OC

DOS

IR

Vibrations