Geometry & MOs

Info

ID:

334810

PubChem CID:

127253485

Reduced:

ClNO8H20C23 (1)

Stoich.:

ABC8D20E23 (1)

Weight, g/mol:

486.119379

ΔHf, kcal/mol:

-261.46

Dipole, Da:

5.62

IP(EA), eV:

 -9.35(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations