Geometry & MOs

Info

ID:

333992

PubChem CID:

127252544

Reduced:

ClSN3O5C28H30 (1)

Stoich.:

ABC3D5E28F30 (1)

Weight, g/mol:

557.146597

ΔHf, kcal/mol:

-118.53

Dipole, Da:

7.78

IP(EA), eV:

 -8.88(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)anilino]spiro[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)N[C@@H](CCSC)C4=NC5=CC=CC=C5N4C

DOS

IR

Vibrations