Geometry & MOs

Info

ID:

334536

PubChem CID:

127253211

Reduced:

ClSN2O5C32H37 (1)

Stoich.:

ABC2D5E32F37 (1)

Weight, g/mol:

436.140114

ΔHf, kcal/mol:

-155.58

Dipole, Da:

3.18

IP(EA), eV:

 -8.67(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=CC=C4SC[C@@H]5CCCN6[C@@H]5CCCC6

DOS

IR

Vibrations