Geometry & MOs

Info

ID:

334736

PubChem CID:

127253411

Reduced:

O4N5H31C33 (1)

Stoich.:

A4B5C31D33 (1)

Weight, g/mol:

448.140114

ΔHf, kcal/mol:

55.6

Dipole, Da:

2.92

IP(EA), eV:

 -8.71(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CC=C1C2=CNC3=CC=CC=C32)C(=O)[C@@H]4CC5=C(C=CC(=C5)[N+](=O)[O-])N6[C@H]4C7CC(C6)C8=CC=CC(=O)N8C7

DOS

IR

Vibrations