Geometry & MOs

Info

ID:

334930

PubChem CID:

127253736

Reduced:

ClO5N6H25C28 (1)

Stoich.:

AB5C6D25E28 (1)

Weight, g/mol:

555.152076

ΔHf, kcal/mol:

-48.94

Dipole, Da:

5.33

IP(EA), eV:

 -8.78(-0.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-[5-[2-(2-hydroxyethyl)tetrazol-5-yl]-2-methoxyanilino]-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)NC4=CC=C(C=C4)C5=NNC(=N5)CN6C=CN=C6

DOS

IR

Vibrations