Geometry & MOs

Info

ID:

334319

PubChem CID:

127252871

Reduced:

N4O4H24C31 (1)

Stoich.:

A4B4C24D31 (1)

Weight, g/mol:

535.00334

ΔHf, kcal/mol:

-51.66

Dipole, Da:

5.26

IP(EA), eV:

 -8.85(-1.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)COC4=CC5=C(C=C4)C6=C7N5C(=O)C8=CC=CC=C8C7=NC=C6

DOS

IR

Vibrations