Geometry & MOs

Info

ID:

334169

PubChem CID:

127252721

Reduced:

NO8H27C29 (1)

Stoich.:

AB8C27D29 (1)

Weight, g/mol:

538.111849

ΔHf, kcal/mol:

-228.82

Dipole, Da:

6.64

IP(EA), eV:

 -8.63(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]-N-(2,3,4-trifluorophenyl)propanamide

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C(CC(=O)OC)C3=C(C=CC4=C3O/C(=C\N5CCOCC5)/C4=O)O

DOS

IR

Vibrations