Geometry & MOs

Info

ID:

334760

PubChem CID:

127253435

Reduced:

ClN3O8H32C33 (1)

Stoich.:

AB3C8D32E33 (1)

Weight, g/mol:

509.135363

ΔHf, kcal/mol:

-243.44

Dipole, Da:

7.94

IP(EA), eV:

 -8.61(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[2-(4-oxoquinazolin-3-yl)ethylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)OCC(=C)C)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations