Geometry & MOs

Info

ID:

184413

PubChem CID:

77159189

Reduced:

O2Cl3N4H21C27 (1)

Stoich.:

A2B3C4D21E27 (1)

Weight, g/mol:

704.0968

ΔHf, kcal/mol:

1.04

Dipole, Da:

4.18

IP(EA), eV:

 -9.37(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-bromo-2-[6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-2,6'-dioxospiro[1H-indole-3,3'-piperidine]-2'-yl]-3-fluorophenoxy]-N,N-dimethylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1C(C=CC=C1Cl)C2CC(=O)NC(C23C4=C(C=C(C=C4)Cl)NC3=O)C5=C(C=CC(=C5)Cl)N6C=CN=C6

DOS

IR

Vibrations