Geometry & MOs

Info

ID:

164162

PubChem CID:

74382122

Reduced:

N3O14H45C55 (1)

Stoich.:

A3B14C45D55 (1)

Weight, g/mol:

469.040312

ΔHf, kcal/mol:

-399.23

Dipole, Da:

16.95

IP(EA), eV:

 -8.64(-1.87)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-chloro-3',5'-bis(3-chlorophenyl)spiro[1H-indole-3,4'-cyclohexane]-1',2-dione

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCN(C2CC(C3C(C2O)OC4=CC=CC=C34)C(=O)NCCOC(=O)NC5=CC(=C(C=C5)C6=C7C=CC(=O)C=C7OC8=C6C=CC(=C8)O)C(=O)O)C(=O)C9=CC1=CC=CC=C1OC9=O

DOS

IR

Vibrations