Geometry & MOs

Info

ID:

334678

PubChem CID:

127253353

Reduced:

ClN2O7C27H27 (1)

Stoich.:

AB2C7D27E27 (1)

Weight, g/mol:

484.140114

ΔHf, kcal/mol:

-230.37

Dipole, Da:

4.84

IP(EA), eV:

 -8.38(-0.56)

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]-3-phenylpropanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCCC4C5=C(C=CC(=C5)OC)NC4=O

DOS

IR

Vibrations