Geometry & MOs

Info

ID:

334974

PubChem CID:

127253780

Reduced:

NO7C27H27 (1)

Stoich.:

AB7C27D27 (1)

Weight, g/mol:

428.1139

ΔHf, kcal/mol:

-249.93

Dipole, Da:

8.16

IP(EA), eV:

 -9.27(-0.79)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-4,6-dimethoxy-5'-methyl-3'-(pyridin-2-ylmethylamino)spiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

CC1=C(C(=C2C(=C1O)[C@@]3(C(=CC(=O)/C(=C(/C)\NC4=C(C=CC(=C4)C(C)C)O)/C3=O)O2)C)C(=O)C)O

DOS

IR

Vibrations