Geometry & MOs

Info

ID:

186745

PubChem CID:

77477837

Reduced:

ClN2F3O3C29H32 (1)

Stoich.:

AB2C3D3E29F32 (1)

Weight, g/mol:

696.365363

ΔHf, kcal/mol:

-242.99

Dipole, Da:

4.24

IP(EA), eV:

 -8.93(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(2-tert-butyl-5-cyclooctyl-4-oxopentanoyl)-3-(3-chlorophenyl)-N-[1-cyclopropyl-4-(methylamino)-3,4-dioxobutan-2-yl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene-8-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC12CC(C3=C2C(=CC=C3)Cl)OCCN4CCOCC4)C(=O)C=CC5=CC=CC=C5C(F)(F)F

DOS

IR

Vibrations