Geometry & MOs

Info

ID:

393651

PubChem CID:

135021429

Reduced:

ON2C15H15 (2)

Stoich.:

AB2C15D15 (2)

Weight, g/mol:

512.197904

ΔHf, kcal/mol:

57.98

Dipole, Da:

1.59

IP(EA), eV:

 -9.08(-0.93)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-benzoyl-5'-chloro-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)CC(C)(C)N=C1C=C([C@@]2(C1(C#N)C#N)C3=CC=CC=C3N(C2=O)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations