Geometry & MOs

Info

ID:

334332

PubChem CID:

127252884

Reduced:

ClN4O7H25C27 (1)

Stoich.:

AB4C7D25E27 (1)

Weight, g/mol:

408.108814

ΔHf, kcal/mol:

-134.01

Dipole, Da:

3.68

IP(EA), eV:

 -8.42(-1.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N3C(=N2)N=CN3)C4=CC(=C(C=C4)OC)OC)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations