Geometry & MOs

Info

ID:

334375

PubChem CID:

127252927

Reduced:

N2O5C33H34 (1)

Stoich.:

A2B5C33D34 (1)

Weight, g/mol:

509.087744

ΔHf, kcal/mol:

-162.36

Dipole, Da:

8.58

IP(EA), eV:

 -8.74(-1.0)

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'-[[(2-oxochromen-6-yl)amino]methylidene]spiro[1-benzofuran-2,4'-cyclohexane]-1',3,3'-trione

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)C4=CC=CC=C4)C)CC(=O)N5CC6CC(C5)C7CCCC(=O)N7C6

DOS

IR

Vibrations