Geometry & MOs

Info

ID:

219281

PubChem CID:

85098430

Reduced:

ClNO14C32H38 (1)

Stoich.:

ABC14D32E38 (1)

Weight, g/mol:

698.13091

ΔHf, kcal/mol:

-478.86

Dipole, Da:

33.39

IP(EA), eV:

 -7.66(-3.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-(5-iodo-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl] benzoate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(=O)CO)O)[N+]6(CCOC(C6)OC)O)O.[Cl-]

DOS

IR

Vibrations