Geometry & MOs

Info

ID:

335106

PubChem CID:

127253912

Reduced:

O4N5H29C30 (1)

Stoich.:

A4B5C29D30 (1)

Weight, g/mol:

463.058943

ΔHf, kcal/mol:

-85.59

Dipole, Da:

3.98

IP(EA), eV:

 -8.71(-1.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)CCNC(=O)CN4C5C6=CC=CC=C6C(=O)N5C7=CC=CC=C7C4=O

DOS

IR

Vibrations