Geometry & MOs

Info

ID:

334473

PubChem CID:

127253148

Reduced:

ClN3O10C32H32 (1)

Stoich.:

AB3C10D32E32 (1)

Weight, g/mol:

481.140449

ΔHf, kcal/mol:

-322.18

Dipole, Da:

6.04

IP(EA), eV:

 -8.47(-0.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5'R)-7-chloro-3'-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4,6-dimethoxy-5'-methylspiro[1-benzofuran-2,6'-cyclohex-2-ene]-1',3-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=C(C(=C(C=C4)OC)OC)OC)C(=O)[C@]15C(=O)C6=C(O5)C(=C(C=C6OC)OC)Cl

DOS

IR

Vibrations