Geometry & MOs

Info

ID:

184415

PubChem CID:

77159191

Reduced:

BrCl2N2O6H27C33 (1)

Stoich.:

AB2C2D6E27F33 (1)

Weight, g/mol:

666.06878

ΔHf, kcal/mol:

-157.7

Dipole, Da:

6.4

IP(EA), eV:

 -9.22(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6'-[5-bromo-2-[4-(3-hydroxypropyl)phenoxy]phenyl]-6-chloro-4'-(5-chlorocyclohexa-2,4-dien-1-yl)spiro[1H-indole-3,5'-piperidine]-2,2'-dione

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)OC)OC2=C(C=C(C=C2)Br)C3C4(C(CC(=O)N3)C5CC(=CC=C5)Cl)C6=C(C=C(C=C6)Cl)NC4=O

DOS

IR

Vibrations