Geometry & MOs

Info

ID:

334756

PubChem CID:

127253431

Reduced:

NO8H23C27 (1)

Stoich.:

AB8C23D27 (1)

Weight, g/mol:

489.130278

ΔHf, kcal/mol:

-203.35

Dipole, Da:

9.66

IP(EA), eV:

 -8.46(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[[[(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3,3'-dioxospiro[1-benzofuran-2,4'-cyclohexene]-1'-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1/C=C\2/C(=O)C3=C(O2)C4=C(C=C3)OC5=C(C4CC(=O)OC)C=CC=N5)OC)OC

DOS

IR

Vibrations