Geometry & MOs

Info

ID:

128308

PubChem CID:

51038566

Reduced:

O8N9C44H55 (1)

Stoich.:

A8B9C44D55 (1)

Weight, g/mol:

498.269399

ΔHf, kcal/mol:

-271.92

Dipole, Da:

7.33

IP(EA), eV:

 -8.72(-1.05)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3'S)-N-cyclopropyl-5,6-difluoro-N-[[5-(3-methoxypropyl)-2,3-dimethylphenyl]methyl]spiro[1H-2-benzofuran-3,4'-piperidine]-3'-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CC[C@@H](C1)CNC2=NC=C(C=N2)C3=CC4=C(C=C3)C=C(C=C4)C5=CN=C(N5)[C@H]6CCCN6C(=O)[C@@H](C)NC(=O)OC7CCOCC7)NC(=O)OC8CCOCC8

DOS

IR

Vibrations