Geometry & MOs

Info

ID:

334715

PubChem CID:

127253390

Reduced:

N2O4C27H28 (1)

Stoich.:

A2B4C27D28 (1)

Weight, g/mol:

501.076134

ΔHf, kcal/mol:

-113.86

Dipole, Da:

3.23

IP(EA), eV:

 -9.06(0.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylamino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC12CC(C(C(=O)N1CCC(CC3=CC=CC=C3)C4=CC=CO4)C(=O)N)C5=CC=CC=C5O2

DOS

IR

Vibrations