Geometry & MOs

Info

ID:

334706

PubChem CID:

127253381

Reduced:

ClNO10H28C30 (1)

Stoich.:

ABC10D28E30 (1)

Weight, g/mol:

487.103394

ΔHf, kcal/mol:

-348.23

Dipole, Da:

5.63

IP(EA), eV:

 -9.06(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC=C(C=C3)OCC(=O)O)C(=O)[C@]14C(=O)C5=C(O4)C(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations