Geometry & MOs

Info

ID:

334768

PubChem CID:

127253443

Reduced:

ON4C26H30 (1)

Stoich.:

AB4C26D30 (1)

Weight, g/mol:

542.145594

ΔHf, kcal/mol:

26.39

Dipole, Da:

4.78

IP(EA), eV:

 -8.78(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C[C@@H]1CCCN2[C@@H]1CCCC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CN=CC=C5

DOS

IR

Vibrations