Geometry & MOs

Info

ID:

85682

PubChem CID:

49878049

Reduced:

N3O5C26H29 (1)

Stoich.:

A3B5C26D29 (1)

Weight, g/mol:

462.179087

ΔHf, kcal/mol:

-137.81

Dipole, Da:

8.61

IP(EA), eV:

 -8.9(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4'Z)-4'-[hydroxy-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1'-(3-methoxypropyl)-1-methylspiro[indole-3,5'-pyrrolidine]-2,2',3'-trione

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C3(C1=O)/C(=C(\C4=CC=C(C=C4)OCC)/O)/C(=O)C(=O)N3CCN(C)C

DOS

IR

Vibrations