Geometry & MOs

Info

ID:

335035

PubChem CID:

127253841

Reduced:

ClN3O8H28C32 (1)

Stoich.:

AB3C8D28E32 (1)

Weight, g/mol:

559.091305

ΔHf, kcal/mol:

-209.89

Dipole, Da:

5.27

IP(EA), eV:

 -8.98(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-chloro-5-(2-oxoimidazolidine-1-carbonyl)anilino]-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)OC4=NC=CC=N4)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations