Geometry & MOs

Info

ID:

334070

PubChem CID:

127252622

Reduced:

SO3N5H23C25 (1)

Stoich.:

AB3C5D23E25 (1)

Weight, g/mol:

494.124464

ΔHf, kcal/mol:

-17.74

Dipole, Da:

5.75

IP(EA), eV:

 -8.69(-1.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,2'Z,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-2'-[[(1-methylindol-4-yl)amino]methylidene]spiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione

Drug info:

PubChemData

Smile

CN1C(=C2CSCC2=N1)NC(=O)CCCN3C4C5=CC=CC=C5C(=O)N4C6=CC=CC=C6C3=O

DOS

IR

Vibrations