Geometry & MOs

Info

ID:

398616

PubChem CID:

135034285

Reduced:

O7H30C31 (2)

Stoich.:

A7B30C31 (2)

Weight, g/mol:

437.332521

ΔHf, kcal/mol:

-397.63

Dipole, Da:

5.44

IP(EA), eV:

 -9.41(-0.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(3-hydroxypropyl)-12-methyl-4-tri(propan-2-yl)silyloxy-2-azatricyclo[5.3.3.01,6]tridecan-9-one

Drug info:

PubChemData

Smile

CO[C@@H]1C(C([C@@H](C(O1)COCC2=CC=CC=C2)O[C@H]3C(C([C@@H](C(O3)COCC4=CC=CC=C4)OCC5=CC=CC=C5)OCC6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C8=CC=CC=C8)OC(=O)C9=CC=CC=C9

DOS

IR

Vibrations