Geometry & MOs

Info

ID:

57540

PubChem CID:

22405485

Reduced:

SiF3N3O5C34H44 (1)

Stoich.:

AB3C3D5E34F44 (1)

Weight, g/mol:

658.300961

ΔHf, kcal/mol:

-400.82

Dipole, Da:

3.59

IP(EA), eV:

 -8.49(-0.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[tert-butyl(dimethyl)silyl]oxy-1,1,1-trifluoro-4-methylpentan-3-yl]-2-[3-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-2-oxo-6-phenylpyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C(=O)N1CC(=O)NC(C(C)C)C(C(F)(F)F)O[Si](C)(C)C(C)(C)C)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations