Geometry & MOs

Info

ID:

184416

PubChem CID:

77159192

Reduced:

BrCl2N2O4H29C33 (1)

Stoich.:

AB2C2D4E29F33 (1)

Weight, g/mol:

586.119291

ΔHf, kcal/mol:

-95.9

Dipole, Da:

9.18

IP(EA), eV:

 -9.25(-0.78)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)-6'-[5-chloro-2-(4-hydroxycyclohexyl)oxyphenyl]spiro[1H-indole-3,5'-piperidine]-2,2'-dione

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)Br)OC6=CC=C(C=C6)CCCO

DOS

IR

Vibrations