Geometry & MOs

Info

ID:

381938

PubChem CID:

134972804

Reduced:

NSSiF3O9C36H36 (1)

Stoich.:

ABCD3E9F36G36 (1)

Weight, g/mol:

775.209429

ΔHf, kcal/mol:

-438.61

Dipole, Da:

4.32

IP(EA), eV:

 -9.1(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2R)-2-[[(2S)-1-[tert-butyl(diphenyl)silyl]oxy-3-hydroxypropan-2-yl]amino]-2-[6-phenylmethoxy-7-(trifluoromethylsulfonyloxy)-1,3-benzodioxol-4-yl]acetate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OC[C@@H]3COC(=O)[C@H](N3)C4=CC(=C(C5=C4OCO5)OS(=O)(=O)C(F)(F)F)OCC6=CC=CC=C6

DOS

IR

Vibrations