Geometry & MOs

Info

ID:

415056

PubChem CID:

135088042

Reduced:

SO7N8C36H44 (1)

Stoich.:

AB7C8D36E44 (1)

Weight, g/mol:

418.189257

ΔHf, kcal/mol:

-181.76

Dipole, Da:

13.45

IP(EA), eV:

 -8.77(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-methyl-3-(spiro[4,9-dihydro-3H-pyrano[3,4-b]indole-1,4'-piperidine]-1'-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-one

Drug info:

PubChemData

Smile

C[C@H]([C@H]1C(=O)N[C@@H](C(=O)NCC2=CN(CCCOC3=C(C=C(C=C3)OC)C(=O)N[C@H](C4=NC(=CS4)C(=O)N1)CC(C)C)N=N2)CC5=CC=CC=C5)O

DOS

IR

Vibrations