Geometry & MOs

Info

ID:

335099

PubChem CID:

127253905

Reduced:

NCl2O8H25C28 (1)

Stoich.:

AB2C8D25E28 (1)

Weight, g/mol:

511.151013

ΔHf, kcal/mol:

-280.32

Dipole, Da:

5.9

IP(EA), eV:

 -8.81(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[2-[2-(hydroxymethyl)benzimidazol-1-yl]ethylamino]-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(=C(C=C3)O)Cl)C(=O)[C@]14C(=O)C5=C(O4)C(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations