Geometry & MOs

Info

ID:

334121

PubChem CID:

127252673

Reduced:

ClNO9H22C27 (1)

Stoich.:

ABC9D22E27 (1)

Weight, g/mol:

469.096201

ΔHf, kcal/mol:

-264.95

Dipole, Da:

6.85

IP(EA), eV:

 -9.0(-1.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC5=C(C=C4)OC(=CC5=O)C(=O)OC

DOS

IR

Vibrations