Geometry & MOs

Info

ID:

334560

PubChem CID:

127253235

Reduced:

ClN4O5H21C23 (1)

Stoich.:

AB4C5D21E23 (1)

Weight, g/mol:

524.171414

ΔHf, kcal/mol:

-84.16

Dipole, Da:

4.27

IP(EA), eV:

 -8.94(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-3'-[3-(4-methoxyindol-1-yl)propylamino]-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC4=NN=C5N4C=CC=C5

DOS

IR

Vibrations