Geometry & MOs

Info

ID:	392668
PubChem CID:	135017561
Reduced:	ON2H22C27 (1)
Stoich.:	AB2C22D27 (1)
Weight, g/mol:	449.03739
ΔH_f, kcal/mol:	52.92
Dipole, Da:	4.13
IP(EA), eV:	-8.52(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3S)-3-methyl-2-phenyl-3H-indol-2-ide-1-carboxylate;chloropalladium(1+)

Drug info:

PubChemData

Smile

CCN1C2=C(C=CC1=O)C3=C(C=C2)N=C(C=C3C4=CC=CC=C4)C5=CC=C(C=C5)C

DOS

IR

Vibrations