Geometry & MOs

Info

ID:

334165

PubChem CID:

127252717

Reduced:

N4O9C39H48 (1)

Stoich.:

A4B9C39D48 (1)

Weight, g/mol:

586.91689

ΔHf, kcal/mol:

-291.63

Dipole, Da:

5.94

IP(EA), eV:

 -8.62(-0.89)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=CC(=C(C=C1)OC)C(=O)N2CCOCC2)NC3=CC=C4C(=CC3=O)[C@H](CCC5=CC(=C(C(=C54)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations