Geometry & MOs

Info

ID:

334826

PubChem CID:

127253632

Reduced:

NOC7H7 (4)

Stoich.:

ABC7D7 (4)

Weight, g/mol:

441.101286

ΔHf, kcal/mol:

-114.62

Dipole, Da:

3.39

IP(EA), eV:

 -9.09(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C3CC(CN(C3)C(=O)CN4C5C6=CC=CC=C6C(=O)N5C7=CC=CC=C7C4=O)CN2C(=O)C1

DOS

IR

Vibrations