Geometry & MOs

Info

ID:

334484

PubChem CID:

127253159

Reduced:

ClN4O5C27H29 (1)

Stoich.:

AB4C5D27E29 (1)

Weight, g/mol:

455.080551

ΔHf, kcal/mol:

-107.97

Dipole, Da:

7.45

IP(EA), eV:

 -8.81(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[(1,1-dioxothiolan-3-yl)amino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCCCCC4=NN=C5N4C=CC=C5

DOS

IR

Vibrations