Geometry & MOs

Info

ID:

394399

PubChem CID:

135022910

Reduced:

O2C7H10 (7)

Stoich.:

A2B7C10 (7)

Weight, g/mol:

343.097521

ΔHf, kcal/mol:

-355.2

Dipole, Da:

8.65

IP(EA), eV:

 -9.84(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

ethyl (2'S,3S)-6'-chlorospiro[1H-2-benzofuran-3,4'-2,3-dihydro-1H-quinoline]-2'-carboxylate

Drug info:

PubChemData

Smile

C/C(=C/C(=O)O)/[C@@H]1[C@H](O1)C[C@@H]2[C@@](O2)(C)C[C@@H]3[C@H](O3)CC[C@@H]4[C@H](O4)CC[C@@]5([C@H](O5)C[C@@H]6[C@@](O6)(C)C[C@@H]7[C@@](O7)(C)CCC[C@@H]8[C@H](O8)C[C@@H]9[C@H](O9)C[C@@H]1[C@@](O1)(C)[C@H](/C=C/CC(=C)C=O)O)C

DOS

IR

Vibrations