Geometry & MOs

Info

ID:	395473
PubChem CID:	135025545
Reduced:	OH9C11 (1)
Stoich.:	AB9C11 (1)
Weight, g/mol:	525.205242
ΔH_f, kcal/mol:	58.59
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.808492
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R,6R)-1'-methyl-3-[(E)-2-methylidene-3-oxo-5-phenylpent-4-enyl]-2',4-dioxo-6-phenylspiro[cyclohexane-2,3'-indole]-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

C=[C]C(=O)/C=C/C1=CC=CC=C1

DOS

IR

Vibrations