Geometry & MOs

Info

ID:

45082

PubChem CID:

10507833

Reduced:

S2N4O6C29H38 (1)

Stoich.:

A2B4C6D29E38 (1)

Weight, g/mol:

602.306366

ΔHf, kcal/mol:

-218.05

Dipole, Da:

9.99

IP(EA), eV:

 -9.2(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (E)-3-[(2R,5S,6R,9R)-8-[[tert-butyl(diphenyl)silyl]oxymethyl]-2-cyclohexyl-9-methyl-4-oxo-1,3-dioxaspiro[4.5]dec-7-en-6-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)N[C@@H](CC3=CC(=CC=C3)C#N)C(=O)N4CCN(CC4)S(=O)(=O)C)C

DOS

IR

Vibrations