Geometry & MOs

Info

ID:

395796

PubChem CID:

135026573

Reduced:

NO2S2C17H17 (1)

Stoich.:

AB2C2D17E17 (1)

Weight, g/mol:

673.172196

ΔHf, kcal/mol:

-22.9

Dipole, Da:

5.48

IP(EA), eV:

 -8.61(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4'R,6'S)-6-chloro-6'-[5-chloro-2-[1-(4,4-difluoropiperidin-1-yl)-2-methyl-1-oxopropan-2-yl]oxyphenyl]-4'-(5-fluoro-2-methylphenyl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N2CC(SC2=C)C3=CC=CC=C3

DOS

IR

Vibrations