Geometry & MOs

Info

ID:	393650
PubChem CID:	135021427
Reduced:	NO3C21H23 (1)
Stoich.:	AB3C21D23 (1)
Weight, g/mol:	478.236876
ΔH_f, kcal/mol:	-48.84
Dipole, Da:	2.18
IP(EA), eV:	-9.28(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-3-benzoyl-1'-methyl-2'-oxo-5-(2,4,4-trimethylpentan-2-ylimino)spiro[cyclopent-3-ene-2,3'-indole]-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@@H](C=C[C@@H](O1)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations