Geometry & MOs

Info

ID:

162746

PubChem CID:

57565966

Reduced:

ISiCl2N2O5C35H39 (1)

Stoich.:

ABC2D2E5F35G39 (1)

Weight, g/mol:

488.05023

ΔHf, kcal/mol:

-228.71

Dipole, Da:

4.53

IP(EA), eV:

 -9.25(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4'S,6'R)-6-bromo-4'-(3-chlorophenyl)-1'-(2-hydroxyethyl)-6'-prop-1-en-2-ylspiro[1H-indole-3,5'-piperidine]-2,2'-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=C(C=CC(=C2)Cl)[C@]3(C1=O)[C@@H](CC(=O)N[C@@H]3C4=C(C=CC(=C4)I)O[Si](C)(C)C(C)(C)C)C5=CC(=CC=C5)Cl

DOS

IR

Vibrations