Geometry & MOs

Info

ID:

393652

PubChem CID:

135021430

Reduced:

ClO2N4H29C30 (1)

Stoich.:

AB2C4D29E30 (1)

Weight, g/mol:

582.299476

ΔHf, kcal/mol:

49.24

Dipole, Da:

1.91

IP(EA), eV:

 -9.07(-1.04)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-3-benzoyl-1'-benzyl-5',7'-dimethyl-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=C(C=CC(=C3)Cl)N(C2=O)C)C(=O)C4=CC=CC=C4

DOS

IR

Vibrations