Geometry & MOs

Info

ID:

334416

PubChem CID:

127252968

Reduced:

SN3O4H21C25 (1)

Stoich.:

AB3C4D21E25 (1)

Weight, g/mol:

496.140114

ΔHf, kcal/mol:

-38.68

Dipole, Da:

9.47

IP(EA), eV:

 -8.13(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-3-yl)amino]spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=CN6CCSC6=N5)OC

DOS

IR

Vibrations